1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625 2626 2627 2628 2629 2630 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2641 2642 2643 2644 2645 2646 2647 2648 2649 2650 2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675 2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700 2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725 2726 2727 2728 2729 2730 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750 2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2761 2762 2763 2764 2765 2766 2767 2768 2769 2770 2771 2772 2773 2774 2775 2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800 2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 2821 2822 2823 2824 2825 2826 2827 2828 2829 2830 2831 2832 2833 2834 2835 2836 2837 2838 2839 2840 2841 2842 2843 2844 2845 2846 2847 2848 2849 2850 2851 2852 2853 2854 2855 2856 2857 2858 2859 2860 2861 2862 2863 2864 2865 2866 2867 2868 2869 2870 2871 2872 2873 2874 2875 2876 2877 2878 2879 2880 2881 2882 2883 2884 2885 2886 2887 2888 2889 2890 2891 2892 2893 2894 2895 2896 2897 2898 2899 2900 2901 2902 2903 2904 2905 2906 2907 2908 2909 2910 2911 2912 2913 2914 2915 2916 2917 2918 2919 2920 2921 2922 2923 2924 2925 2926 2927 2928 2929 2930 2931 2932 2933 2934 2935 2936 2937 2938 2939 2940 2941 2942 2943 2944 2945 2946 2947 2948 2949 2950 2951 2952 2953 2954 2955 2956 2957 2958 2959 2960 2961 2962 2963 2964 2965 2966 2967 2968 2969 2970 2971 2972 2973 2974 2975 2976 2977 2978 2979 2980 2981 2982 2983 2984 2985 2986 2987 2988 2989 2990 2991 2992 2993 2994 2995 2996 2997 2998 2999 3000 3001 3002 3003 3004 3005 3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3021 3022 3023 3024 3025 3026 3027 3028 3029 3030 3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3051 3052 3053 3054 3055 3056 3057 3058 3059 3060 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080 3081 3082 3083 3084 3085 3086 3087 3088 3089 3090 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3101 3102 3103 3104 3105 3106 3107 3108 3109 3110 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130 3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3141 3142 3143 3144 3145 3146 3147 3148 3149 3150 3151 3152 3153 3154 3155 3156 3157 3158 3159 3160 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180 3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3201 3202 3203 3204 3205 3206 3207 3208 3209 3210 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230 3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3251 3252 3253 3254 3255 3256 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3271 3272 3273 3274 3275 3276 3277 3278 3279 3280 3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3301 3302 3303 3304 3305 3306 3307 3308 3309 3310 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3321 3322 3323 3324 3325 3326 3327 3328 3329 3330 3331 3332 3333 3334 3335 3336 3337 3338 3339 3340 3341 3342 3343 3344 3345 3346 3347 3348 3349 3350 3351 3352 3353 3354 3355 3356 3357 3358 3359 3360 3361 3362 3363 3364 3365 3366 3367 3368 3369 3370 3371 3372 3373 3374 3375 3376 3377 3378 3379 3380 3381 3382 3383 3384 3385 3386 3387 3388 3389 3390 3391 3392 3393 3394 3395 3396 3397 3398 3399 3400 3401 3402 3403 3404 3405 3406 3407 3408 3409 3410 3411 3412 3413 3414 3415 3416 3417 3418 3419 3420 3421 3422 3423 3424 3425 3426 3427 3428 3429 3430 3431 3432 3433 3434 3435 3436 3437 3438 3439 3440 3441 3442 3443 3444 3445 3446 3447 3448 3449 3450 3451 3452 3453 3454 3455 3456 3457 3458 3459 3460 3461 3462 3463 3464 3465 3466 3467 3468 3469 3470 3471 3472 3473 3474 3475 3476 3477 3478 3479 3480 3481 3482 3483 3484 3485 3486 3487 3488 3489 3490 3491 3492 3493 3494 3495 3496 3497 3498 3499 3500 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510 3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3528 3529 3530 3531 3532 3533 3534 3535 3536 3537 3538 3539 3540 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560 3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3581 3582 3583 3584 3585 3586 3587 3588 3589 3590 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610 3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3631 3632 3633 3634 3635 3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3681 3682 3683 3684 3685 3686 3687 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710 3711 3712 3713 3714 3715 3716 3717 3718 3719 3720 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3731 3732 3733 3734 3735 3736 3737 3738 3739 3740 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760 3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3771 3772 3773 3774 3775 3776 3777 3778 3779 3780 3781 3782 3783 3784 3785 3786 3787 3788 3789 3790 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810 3811 3812 3813 3814 3815 3816 3817 3818 3819 3820 3821 3822 3823 3824 3825 3826 3827 3828 3829 3830 3831 3832 3833 3834 3835 3836 3837 3838 3839 3840 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3851 3852 3853 3854 3855 3856 3857 3858 3859 3860 3861 3862 3863 3864 3865 3866 3867 3868 3869 3870 3871 3872 3873 3874 3875 3876 3877 3878 3879 3880 3881 3882 3883 3884 3885 3886 3887 3888 3889 3890 3891 3892 3893 3894 3895 3896 3897 3898 3899 3900 3901 3902 3903 3904 3905 3906 3907 3908 3909 3910 3911 3912 3913 3914 3915 3916 3917 3918 3919 3920 3921 3922 3923 3924 3925 3926 3927 3928 3929 3930 3931 3932 3933 3934 3935 3936 3937 3938 3939 3940 3941 3942 3943 3944 3945 3946 3947 3948 3949 3950 3951 3952 3953 3954 3955 3956 3957 3958 3959 3960 3961 3962 3963 3964 3965 3966 3967 3968 3969 3970 3971 3972 3973 3974 3975 3976 3977 3978 3979 3980 3981 3982 3983 3984 3985 3986 3987 3988 3989 3990 3991 3992 3993 3994 3995 3996 3997 3998 3999 4000 4001 4002 4003 4004 4005 4006 4007 4008 4009 4010 4011 4012 4013 4014 4015 4016 4017 4018 4019 4020 4021 4022 4023 4024 4025 4026 4027 4028 4029 4030 4031 4032 4033 4034 4035 4036 4037 4038 4039 4040 4041 4042 4043 4044 4045 4046 4047 4048 4049 4050 4051 4052 4053 4054 4055 4056 4057 4058 4059 4060 4061 4062 4063 4064 4065 4066 4067 4068 4069 4070 4071 4072 4073 4074 4075 4076 4077 4078 4079 4080 4081 4082 4083 4084 4085 4086 4087 4088 4089 4090 4091 4092 4093 4094 4095 4096 4097 4098 4099 4100 4101 4102 4103 4104 4105 4106 4107 4108 4109 4110 4111 4112 4113 4114 4115 4116 4117 4118 4119 4120 4121 4122 4123 4124 4125 4126 4127 4128 4129 4130 4131 4132 4133 4134 4135 4136 4137 4138 4139 4140 4141 4142 4143 4144 4145 4146 4147 4148 4149 4150 4151 4152 4153 4154 4155 4156 4157 4158 4159 4160 4161 4162 4163 4164 4165 4166 4167 4168 4169 4170 4171 4172 4173 4174 4175 4176 4177 4178 4179 4180 4181 4182 4183 4184 4185 4186 4187 4188 4189 4190 4191 4192 4193 4194 4195 4196 4197 4198 4199 4200 4201 4202 4203 4204 4205 4206 4207 4208 4209 4210 4211 4212 4213 4214 4215 4216 4217 4218 4219 4220 4221 4222 4223 4224 4225 4226 4227 4228 4229 4230 4231 4232 4233 4234 4235 4236 4237 4238 4239 4240 4241 4242 4243 4244 4245 4246 4247 4248 4249 4250 4251 4252 4253 4254 4255 4256 4257 4258 4259 4260 4261 4262 4263 4264 4265 4266 4267 4268 4269 4270 4271 4272 4273 4274 4275 4276 4277 4278 4279 4280 4281 4282 4283 4284 4285 4286 4287 4288 4289 4290 4291 4292 4293 4294 4295 4296 4297 4298 4299 4300 4301 4302 4303 4304 4305 4306 4307 4308 4309 4310 4311 4312 4313 4314 4315 4316 4317 4318 4319 4320 4321 4322 4323 4324 4325 4326 4327 4328 4329 4330 4331 4332 4333 4334 4335 4336 4337 4338 4339 4340 4341 4342 4343 4344 4345 4346 4347 4348 4349 4350 4351 4352 4353 4354 4355 4356 4357 4358 4359 4360 4361 4362 4363 4364 4365 4366 4367 4368 4369 4370 4371 4372 4373 4374 4375 4376 4377 4378 4379 4380 4381 4382 4383 4384 4385 4386 4387 4388 4389 4390 4391 4392 4393 4394 4395 4396 4397 4398 4399 4400 4401 4402 4403 4404 4405 4406 4407 4408 4409 4410 4411 4412 4413 4414 4415 4416 4417 4418 4419 4420 4421 4422 4423 4424 4425 4426 4427 4428 4429 4430 4431 4432 4433 4434 4435 4436 4437 4438 4439 4440 4441 4442 4443 4444 4445 4446 4447 4448 4449 4450 4451 4452 4453 4454 4455 4456 4457 4458 4459 4460 4461 4462 4463 4464 4465 4466 4467 4468 4469 4470 4471 4472 4473 4474 4475 4476 4477 4478 4479 4480 4481 4482 4483 4484 4485 4486 4487 4488 4489 4490 4491 4492 4493 4494 4495 4496 4497 4498 4499 4500 4501 4502 4503 4504 4505 4506 4507 4508 4509 4510 4511 4512 4513 4514 4515 4516 4517 4518 4519 4520 4521 4522 4523 4524 4525 4526 4527 4528 4529 4530 4531 4532 4533 4534 4535 4536 4537 4538 4539 4540 4541 4542 4543 4544 4545 4546 4547 4548 4549 4550 4551 4552 4553 4554 4555 4556 4557 4558 4559 4560 4561 4562 4563 4564 4565 4566 4567 4568 4569 4570 4571 4572 4573 4574 4575 4576 4577 4578 4579 4580 4581 4582 4583 4584 4585 4586 4587 4588 4589 4590 4591 4592 4593 4594 4595 4596 4597 4598 4599 4600 4601 4602 4603 4604 4605 4606 4607 4608 4609 4610 4611 4612 4613 4614 4615 4616 4617 4618 4619 4620 4621 4622 4623 4624 4625 4626 4627 4628 4629 4630 4631 4632 4633 4634 4635 4636 4637 4638 4639 4640 4641 4642 4643 4644 4645 4646 4647 4648 4649 4650 4651 4652 4653 4654 4655 4656 4657 4658 4659 4660 4661 4662 4663 4664 4665 4666 4667 4668 4669 4670 4671 4672 4673 4674 4675 4676 4677 4678 4679 4680 4681 4682 4683 4684 4685 4686 4687 4688 4689 4690 4691 4692 4693 4694 4695 4696 4697 4698 4699 4700 4701 4702 4703 4704 4705 4706 4707 4708 4709 4710 4711 4712 4713 4714 4715 4716 4717 4718 4719 4720 4721 4722 4723 4724 4725 4726 4727 4728 4729 4730 4731 4732 4733 4734 4735 4736 4737 4738 4739 4740 4741 4742 4743 4744 4745 4746 4747 4748 4749 4750 4751 4752 4753 4754 4755 4756 4757 4758 4759 4760 4761 4762 4763 4764 4765 4766 4767 4768 4769 4770 4771 4772 4773 4774 4775 4776 4777 4778 4779 4780 4781 4782 4783 4784 4785 4786 4787 4788 4789 4790 4791 4792 4793 4794 4795 4796 4797 4798 4799 4800 4801 4802 4803 4804 4805 4806 4807 4808 4809 4810 4811 4812 4813 4814 4815 4816 4817 4818 4819 4820 4821 4822 4823 4824 4825 4826 4827 4828 4829 4830 4831 4832 4833 4834 4835 4836 4837 4838 4839 4840 4841 4842 4843 4844 4845 4846 4847 4848 4849 4850 4851 4852 4853 4854 4855 4856 4857 4858 4859 4860 4861 4862 4863 4864 4865 4866 4867 4868 4869 4870 4871 4872 4873 4874 4875 4876 4877 4878 4879 4880 4881 4882 4883 4884 4885 4886 4887 4888 4889 4890 4891 4892 4893 4894 4895 4896 4897 4898 4899 4900 4901 4902 4903 4904 4905 4906 4907 4908 4909 4910 4911 4912 4913 4914 4915 4916 4917 4918 4919 4920 4921 4922 4923 4924 4925 4926 4927 4928 4929 4930 4931 4932 4933 4934 4935 4936 4937 4938 4939 4940 4941 4942 4943 4944 4945 4946 4947 4948 4949 4950 4951 4952 4953 4954 4955 4956 4957 4958 4959 4960 4961 4962 4963 4964 4965 4966 4967 4968 4969 4970 4971 4972 4973 4974 4975 4976 4977 4978 4979 4980 4981 4982 4983 4984 4985 4986 4987 4988 4989 4990 4991 4992 4993 4994 4995 4996 4997 4998 4999 5000 5001 5002 5003 5004 5005 5006 5007 5008 5009 5010 5011 5012 5013 5014 5015 5016 5017 5018 5019 5020 5021 5022 5023 5024 5025 5026 5027 5028 5029 5030 5031 5032 5033 5034 5035 5036 5037 5038 5039 5040 5041 5042 5043 5044 5045 5046 5047 5048 5049 5050 5051 5052 5053 5054 5055 5056 5057 5058 5059 5060 5061 5062 5063 5064 5065 5066 5067 5068 5069 5070 5071 5072 5073 5074 5075 5076 5077 5078 5079 5080 5081 5082 5083 5084 5085 5086 5087 5088 5089 5090 5091 5092 5093 5094 5095 5096 5097 5098 5099 5100 5101 5102 5103 5104 5105 5106 5107 5108 5109 5110 5111 5112 5113 5114 5115 5116 5117 5118 5119 5120 5121 5122 5123 5124 5125 5126 5127 5128 5129 5130 5131 5132 5133 5134 5135 5136 5137 5138 5139 5140 5141 5142 5143 5144 5145 5146 5147 5148 5149 5150 5151 5152 5153 5154 5155 5156 5157 5158 5159 5160 5161 5162 5163 5164 5165 5166 5167 5168 5169 5170 5171 5172 5173 5174 5175 5176 5177 5178 5179 5180 5181 5182 5183 5184 5185 5186 5187 5188 5189 5190 5191 5192 5193 5194 5195 5196 5197 5198 5199 5200 5201 5202 5203 5204 5205 5206 5207 5208 5209 5210 5211 5212 5213 5214 5215 5216 5217 5218 5219 5220 5221 5222 5223 5224 5225 5226 5227 5228 5229 5230 5231 5232 5233 5234 5235 5236 5237 5238 5239 5240 5241 5242 5243 5244 5245 5246 5247 5248 5249 5250 5251 5252 5253 5254 5255 5256 5257 5258 5259 5260 5261 5262 5263 5264 5265 5266 5267 5268 5269 5270 5271 5272 5273 5274 5275 5276 5277 5278 5279 5280 5281 5282 5283 5284 5285 5286 5287 5288 5289 5290 5291 5292 5293 5294 5295 5296 5297 5298 5299 5300 5301 5302 5303 5304 5305 5306 5307 5308 5309 5310 5311 5312 5313 5314 5315 5316 5317 5318 5319 5320 5321 5322 5323 5324 5325 5326 5327 5328 5329 5330 5331 5332 5333 5334 5335 5336 5337 5338 5339 5340 5341 5342 5343 5344 5345 5346 5347 5348 5349 5350 5351 5352 5353 5354 5355 5356 5357 5358 5359 5360 5361 5362 5363 5364 5365 5366 5367 5368 5369 5370 5371 5372 5373 5374 5375 5376 5377 5378 5379 5380 5381 5382 5383 5384 5385 5386 5387 5388 5389 5390 5391 5392 5393 5394 5395 5396 5397 5398 5399 5400 5401 5402 5403 5404 5405 5406 5407 5408 5409 5410 5411 5412 5413 5414 5415 5416 5417 5418 5419 5420 5421 5422 5423 5424 5425 5426 5427 5428 5429 5430 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470 5471 5472 5473 5474 5475 5476 5477 5478 5479 5480 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500 5501 5502 5503 5504 5505 5506 5507 5508 5509 5510 5511 5512 5513 5514 5515 5516 5517 5518 5519 5520 5521 5522 5523 5524 5525 5526 5527 5528 5529 5530 5531 5532 5533 5534 5535 5536 5537 5538 5539 5540 5541 5542 5543 5544 5545 5546 5547 5548 5549 5550 5551 5552 5553 5554 5555 5556 5557 5558 5559 5560 5561 5562 5563 5564 5565 5566 5567 5568 5569 5570 5571 5572 5573 5574 5575 5576 5577 5578 5579 5580 5581 5582 5583 5584 5585 5586 5587 5588 5589 5590 5591 5592 5593 5594 5595 5596 5597 5598 5599 5600 5601 5602 5603 5604 5605 5606 5607 5608 5609 5610 5611 5612 5613 5614 5615 5616 5617 5618 5619 5620 5621 5622 5623 5624 5625 5626 5627 5628 5629 5630 5631 5632 5633 5634 5635 5636 5637 5638 5639 5640 5641 5642 5643 5644 5645 5646 5647 5648 5649 5650 5651 5652 5653 5654 5655 5656 5657 5658 5659 5660 5661 5662 5663 5664 5665 5666 5667 5668 5669 5670 5671 5672 5673 5674 5675 5676 5677 5678 5679 5680 5681 5682 5683 5684 5685 5686 5687 5688 5689 5690 5691 5692 5693 5694 5695 5696 5697 5698 5699 5700 5701 5702 5703 5704 5705 5706 5707 5708 5709 5710 5711 5712 5713 5714 5715 5716 5717 5718 5719 5720 5721 5722 5723 5724 5725 5726 5727 5728 5729 5730 5731 5732 5733 5734 5735 5736 5737 5738 5739 5740 5741 5742 5743 5744 5745 5746 5747 5748 5749 5750 5751 5752 5753 5754 5755 5756 5757 5758 5759 5760 5761 5762 5763 5764 5765 5766 5767 5768 5769 5770 5771 5772 5773 5774 5775 5776 5777 5778 5779 5780 5781 5782 5783 5784 5785 5786 5787 5788 5789 5790 5791 5792 5793 5794 5795 5796 5797 5798 5799 5800 5801 5802 5803 5804 5805 5806 5807 5808 5809 5810 5811 5812 5813 5814 5815 5816 5817 5818 5819 5820 5821 5822 5823 5824 5825 5826 5827 5828 5829 5830 5831 5832 5833 5834 5835 5836 5837 5838 5839 5840 5841 5842 5843 5844 5845 5846 5847 5848 5849 5850 5851 5852 5853 5854 5855 5856 5857 5858 5859 5860 5861 5862 5863 5864 5865 5866 5867 5868 5869 5870 5871 5872 5873 5874 5875 5876 5877 5878 5879 5880 5881 5882 5883 5884 5885 5886 5887 5888 5889 5890 5891 5892 5893 5894 5895 5896 5897 5898 5899 5900 5901 5902 5903 5904 5905 5906 5907 5908 5909 5910 5911 5912 5913 5914 5915 5916 5917 5918 5919 5920 5921 5922 5923 5924 5925 5926 5927 5928 5929 5930 5931 5932 5933 5934 5935 5936 5937 5938 5939 5940 5941 5942 5943 5944 5945 5946 5947 5948 5949 5950 5951 5952 5953 5954 5955 5956 5957 5958 5959 5960 5961 5962 5963 5964 5965 5966 5967 5968 5969 5970 5971 5972 5973 5974 5975 5976 5977 5978 5979 5980 5981 5982 5983 5984 5985 5986 5987 5988 5989 5990 5991 5992 5993 5994 5995 5996 5997 5998 5999 6000 6001 6002 6003 6004 6005 6006 6007 6008 6009 6010 6011 6012 6013 6014 6015 6016 6017 6018 6019 6020 6021 6022 6023 6024 6025 6026 6027 6028 6029 6030 6031 6032 6033 6034 6035 6036 6037 6038 6039 6040 6041 6042 6043 6044 6045 6046 6047 6048 6049 6050 6051 6052 6053 6054 6055 6056 6057 6058 6059 6060 6061 6062 6063 6064 6065 6066 6067 6068 6069 6070 6071 6072 6073 6074 6075 6076 6077 6078 6079 6080 6081 6082 6083 6084 6085 6086 6087 6088 6089 6090 6091 6092 6093 6094 6095 6096 6097 6098 6099 6100 6101 6102 6103 6104 6105 6106 6107 6108 6109 6110 6111 6112 6113 6114 6115 6116 6117 6118 6119 6120 6121 6122 6123 6124 6125 6126 6127 6128 6129 6130 6131 6132 6133 6134 6135 6136 6137 6138 6139 6140 6141 6142 6143 6144 6145 6146 6147 6148 6149 6150 6151 6152 6153 6154 6155 6156 6157 6158 6159 6160 6161 6162 6163 6164 6165 6166 6167 6168 6169 6170 6171 6172 6173 6174 6175 6176 6177 6178 6179 6180 6181 6182 6183 6184 6185 6186 6187 6188 6189 6190 6191 6192 6193 6194 6195 6196 6197 6198 6199 6200 6201 6202 6203 6204 6205 6206 6207 6208 6209 6210 6211 6212 6213 6214 6215 6216 6217 6218 6219 6220 6221 6222 6223 6224 6225 6226 6227 6228 6229 6230 6231 6232 6233 6234 6235 6236 6237 6238 6239 6240 6241 6242 6243 6244 6245 6246 6247 6248 6249 6250 6251 6252 6253 6254 6255 6256 6257 6258 6259 6260 6261 6262 6263 6264 6265 6266 6267 6268 6269 6270 6271 6272 6273 6274 6275 6276 6277 6278 6279 6280 6281 6282 6283 6284 6285 6286 6287 6288 6289 6290 6291 6292 6293 6294 6295 6296 6297 6298 6299 6300 6301 6302 6303 6304 6305 6306 6307 6308 6309 6310 6311 6312 6313 6314 6315 6316 6317 6318 6319 6320 6321 6322 6323 6324 6325 6326 6327 6328 6329 6330 6331 6332 6333 6334 6335 6336 6337 6338 6339 6340 6341 6342 6343 6344 6345 6346 6347 6348 6349 6350 6351 6352 6353 6354 6355 6356 6357 6358 6359 6360 6361 6362 6363 6364 6365 6366 6367 6368 6369 6370 6371 6372 6373 6374 6375 6376 6377 6378 6379 6380 6381 6382 6383 6384 6385 6386 6387 6388 6389 6390 6391 6392 6393 6394 6395 6396 6397 6398 6399 6400 6401 6402 6403 6404 6405 6406 6407 6408 6409 6410 6411 6412 6413 6414 6415 6416 6417 6418 6419 6420 6421 6422 6423 6424 6425 6426 6427 6428 6429 6430 6431 6432 6433 6434 6435 6436 6437 6438 6439 6440 6441 6442 6443 6444 6445 6446 6447 6448 6449 6450 6451 6452 6453 6454 6455 6456 6457 6458 6459 6460 6461 6462 6463 6464 6465 6466 6467 6468 6469 6470 6471 6472 6473 6474 6475 6476 6477 6478 6479 6480 6481 6482 6483 6484 6485 6486 6487 6488 6489 6490 6491 6492 6493 6494 6495 6496 6497 6498 6499 6500 6501 6502 6503 6504 6505 6506 6507 6508 6509 6510 6511 6512 6513 6514 6515 6516 6517 6518 6519 6520 6521 6522 6523 6524 6525 6526 6527 6528 6529 6530 6531 6532 6533 6534 6535 6536 6537 6538 6539 6540 6541 6542 6543 6544 6545 6546 6547 6548 6549 6550 6551 6552 6553 6554 6555 6556 6557 6558 6559 6560 6561 6562 6563 6564 6565 6566 6567 6568 6569 6570 6571 6572 6573 6574 6575 6576 6577 6578 6579 6580 6581 6582 6583 6584 6585 6586 6587 6588 6589 6590 6591 6592 6593 6594 6595 6596 6597 6598 6599 6600 6601 6602 6603 6604 6605 6606 6607 6608 6609 6610 6611 6612 6613 6614 6615 6616 6617 6618 6619 6620 6621 6622 6623 6624 6625 6626 6627 6628 6629 6630 6631 6632 6633 6634 6635 6636 6637 6638 6639 6640 6641 6642 6643 6644 6645 6646 6647 6648 6649 6650 6651 6652 6653 6654 6655 6656 6657 6658 6659 6660 6661 6662 6663 6664 6665 6666 6667 6668 6669 6670 6671 6672 6673 6674 6675 6676 6677 6678 6679 6680 6681 6682 6683 6684 6685 6686 6687 6688 6689 6690 6691 6692 6693 6694 6695 6696 6697 6698 6699 6700 6701 6702 6703 6704 6705 6706 6707 6708 6709 6710 6711 6712 6713 6714 6715 6716 6717 6718 6719 6720 6721 6722 6723 6724 6725 6726 6727 6728 6729 6730 6731 6732 6733 6734 6735 6736 6737 6738 6739 6740 6741 6742 6743 6744 6745 6746 6747 6748 6749 6750 6751 6752 6753 6754 6755 6756 6757 6758 6759 6760 6761 6762 6763 6764 6765 6766 6767 6768 6769 6770 6771 6772 6773 6774 6775 6776 6777 6778 6779 6780 6781 6782 6783 6784 6785 6786 6787 6788 6789 6790 6791 6792 6793 6794 6795 6796 6797 6798 6799 6800 6801 6802 6803 6804 6805 6806 6807 6808 6809 6810 6811 6812 6813 6814 6815 6816 6817 6818 6819 6820 6821 6822 6823 6824 6825 6826 6827 6828 6829 6830 6831 6832 6833 6834 6835 6836 6837 6838 6839 6840 6841 6842 6843 6844 6845 6846 6847 6848 6849 6850 6851 6852 6853 6854 6855 6856 6857 6858 6859 6860 6861 6862 6863 6864 6865 6866 6867 6868 6869 6870 6871 6872 6873 6874 6875 6876 6877 6878 6879 6880 6881 6882 6883 6884 6885 6886 6887 6888 6889 6890 6891 6892 6893 6894 6895 6896 6897 6898 6899 6900 6901 6902 6903 6904 6905 6906 6907 6908 6909 6910 6911 6912 6913 6914 6915 6916 6917 6918 6919 6920 6921 6922 6923 6924 6925 6926 6927 6928 6929 6930 6931 6932 6933 6934 6935 6936 6937 6938 6939 6940 6941 6942 6943 6944 6945 6946 6947 6948 6949 6950 6951 6952 6953 6954 6955 6956 6957 6958 6959 6960 6961 6962 6963 6964 6965 6966 6967 6968 6969 6970 6971 6972 6973 6974 6975 6976 6977 6978 6979 6980 6981 6982 6983 6984 6985 6986 6987 6988 6989 6990 6991 6992 6993 6994 6995 6996 6997 6998 6999 7000 7001 7002 7003 7004 7005 7006 7007 7008 7009 7010 7011 7012 7013 7014 7015 7016 7017 7018 7019 7020 7021 7022 7023 7024 7025 7026 7027 7028 7029 7030 7031 7032 7033 7034 7035 7036 7037 7038 7039 7040 7041 7042 7043 7044 7045 7046 7047 7048 7049 7050 7051 7052 7053 7054 7055 7056 7057 7058 7059 7060 7061 7062 7063 7064 7065 7066 7067 7068 7069 7070 7071 7072 7073 7074 7075 7076 7077 7078 7079 7080 7081 7082 7083 7084 7085 7086 7087 7088 7089 7090 7091 7092 7093 7094 7095 7096 7097 7098 7099 7100 7101 7102 7103 7104 7105 7106 7107 7108 7109 7110 7111 7112 7113 7114 7115 7116 7117 7118 7119 7120 7121 7122 7123 7124 7125 7126 7127 7128 7129 7130 7131 7132 7133 7134 7135 7136 7137 7138 7139 7140 7141 7142 7143 7144 7145 7146 7147 7148 7149 7150 7151 7152 7153 7154 7155 7156 7157 7158 7159 7160 7161 7162 7163 7164 7165 7166 7167 7168 7169 7170 7171 7172 7173 7174 7175 7176 7177 7178 7179 7180 7181 7182 7183 7184 7185 7186 7187 7188 7189 7190 7191 7192 7193 7194 7195 7196 7197 7198 7199 7200 7201 7202 7203 7204 7205 7206 7207 7208 7209 7210 7211 7212 7213 7214 7215 7216 7217 7218 7219 7220 7221 7222 7223 7224 7225 7226 7227 7228 7229 7230 7231 7232 7233 7234 7235 7236 7237 7238 7239 7240 7241 7242 7243 7244 7245 7246 7247 7248 7249 7250 7251 7252 7253 7254 7255 7256 7257 7258 7259 7260 7261 7262 7263 7264 7265 7266 7267 7268 7269 7270 7271 7272 7273 7274 7275 7276 7277 7278 7279 7280 7281 7282 7283 7284 7285 7286 7287 7288 7289 7290 7291 7292 7293 7294 7295 7296 7297 7298 7299 7300 7301 7302 7303 7304 7305 7306 7307 7308 7309 7310 7311 7312 7313 7314 7315 7316 7317 7318 7319 7320 7321 7322 7323 7324 7325 7326 7327 7328 7329 7330 7331 7332 7333 7334 7335 7336 7337 7338 7339 7340 7341 7342 7343 7344 7345 7346 7347 7348 7349 7350 7351 7352 7353 7354 7355 7356 7357 7358 7359 7360 7361 7362 7363 7364 7365 7366 7367 7368 7369 7370 7371 7372 7373 7374 7375 7376 7377 7378 7379 7380 7381 7382 7383 7384 7385 7386 7387 7388 7389 7390 7391 7392 7393 7394 7395 7396 7397 7398 7399 7400 7401 7402 7403 7404 7405 7406 7407 7408 7409 7410 7411 7412 7413 7414 7415 7416 7417 7418 7419 7420 7421 7422 7423 7424 7425 7426 7427 7428 7429 7430 7431 7432 7433 7434 7435 7436 7437 7438 7439 7440 7441 7442 7443 7444 7445 7446 7447 7448 7449 7450 7451 7452 7453 7454 7455 7456 7457 7458 7459 7460 7461 7462 7463 7464 7465 7466 7467 7468 7469 7470 7471 7472 7473 7474 7475 7476 7477 7478 7479 7480 7481 7482 7483 7484 7485 7486 7487 7488 7489 7490 7491 7492 7493 7494 7495 7496 7497 7498 7499 7500 7501 7502 7503 7504 7505 7506 7507 7508 7509 7510 7511 7512 7513 7514 7515 7516 7517 7518 7519 7520 7521 7522 7523 7524 7525 7526 7527 7528 7529 7530 7531 7532 7533 7534 7535 7536 7537 7538 7539 7540 7541 7542 7543 7544 7545 7546 7547 7548 7549 7550 7551 7552 7553 7554 7555 7556 7557 7558 7559 7560 7561 7562 7563 7564 7565 7566 7567 7568 7569 7570 7571 7572 7573 7574 7575 7576 7577 7578 7579 7580 7581 7582 7583 7584 7585 7586 7587 7588 7589 7590 7591 7592 7593 7594 7595 7596 7597 7598 7599 7600 7601 7602 7603 7604 7605 7606 7607 7608 7609 7610 7611 7612 7613 7614 7615 7616 7617 7618 7619 7620 7621 7622 7623 7624 7625 7626 7627 7628 7629 7630 7631 7632 7633 7634 7635 7636 7637 7638 7639 7640 7641 7642 7643 7644 7645 7646 7647 7648 7649 7650 7651 7652 7653 7654 7655 7656 7657 7658 7659 7660 7661 7662 7663 7664 7665 7666 7667 7668 7669 7670 7671 7672 7673 7674 7675 7676 7677 7678 7679 7680 7681 7682 7683 7684 7685 7686 7687 7688 7689 7690 7691 7692 7693 7694 7695 7696 7697 7698 7699 7700 7701 7702 7703 7704 7705 7706 7707 7708 7709 7710 7711 7712 7713 7714 7715 7716 7717 7718 7719 7720 7721 7722 7723 7724 7725 7726 7727 7728 7729 7730 7731 7732 7733 7734 7735 7736 7737 7738 7739 7740 7741 7742 7743 7744 7745 7746 7747 7748 7749 7750 7751 7752 7753 7754 7755 7756 7757 7758 7759 7760 7761 7762 7763 7764 7765 7766 7767 7768 7769 7770 7771 7772 7773 7774 7775 7776 7777 7778 7779 7780 7781 7782 7783 7784 7785 7786 7787 7788 7789 7790 7791 7792 7793 7794 7795 7796 7797 7798 7799 7800 7801 7802 7803 7804 7805 7806 7807 7808 7809 7810 7811 7812 7813 7814 7815 7816 7817 7818 7819 7820 7821 7822 7823 7824 7825 7826 7827 7828 7829 7830 7831 7832 7833 7834 7835 7836 7837 7838 7839 7840 7841 7842 7843 7844 7845 7846 7847 7848 7849 7850 7851 7852 7853 7854 7855 7856 7857 7858 7859 7860 7861 7862 7863 7864 7865 7866 7867 7868 7869 7870 7871 7872 7873 7874 7875 7876 7877 7878 7879 7880 7881 7882 7883 7884 7885 7886 7887 7888 7889 7890 7891 7892 7893 7894 7895 7896 7897 7898 7899 7900 7901 7902 7903 7904 7905 7906 7907 7908 7909 7910 7911 7912 7913 7914 7915 7916 7917 7918 7919 7920 7921 7922 7923 7924 7925 7926 7927 7928 7929 7930 7931 7932 7933 7934 7935 7936 7937 7938 7939 7940 7941 7942 7943 7944 7945 7946 7947 7948 7949 7950 7951 7952 7953 7954 7955 7956 7957 7958 7959 7960 7961 7962 7963 7964 7965 7966 7967 7968 7969 7970 7971 7972 7973 7974 7975 7976 7977 7978 7979 7980 7981 7982 7983 7984 7985 7986 7987 7988 7989 7990 7991 7992 7993 7994 7995 7996 7997 7998 7999 8000 8001 8002 8003 8004 8005 8006 8007 8008 8009 8010 8011 8012 8013 8014 8015 8016 8017 8018 8019 8020 8021 8022 8023 8024 8025 8026 8027 8028 8029 8030 8031 8032 8033 8034 8035 8036 8037 8038 8039 8040 8041 8042 8043 8044 8045 8046 8047 8048 8049 8050 8051 8052 8053 8054 8055 8056 8057 8058 8059 8060 8061 8062 8063 8064 8065 8066 8067 8068 8069 8070 8071 8072 8073 8074 8075 8076 8077 8078 8079 8080 8081 8082 8083 8084 8085 8086 8087 8088 8089 8090 8091 8092 8093 8094 8095 8096 8097 8098 8099 8100 8101 8102 8103 8104 8105 8106 8107 8108 8109 8110 8111 8112 8113 8114 8115 8116 8117 8118 8119 8120 8121 8122 8123 8124 8125 8126 8127 8128 8129 8130 8131 8132 8133 8134 8135 8136 8137 8138 8139 8140 8141 8142 8143 8144 8145 8146 8147 8148 8149 8150 8151 8152 8153 8154 8155 8156 8157 8158 8159 8160 8161 8162 8163 8164 8165 8166 8167 8168 8169 8170 8171 8172 8173 8174 8175 8176 8177 8178 8179 8180 8181 8182 8183 8184 8185 8186 8187 8188 8189 8190 8191 8192 8193 8194 8195 8196 8197 8198 8199 8200 8201 8202 8203 8204 8205 8206 8207 8208 8209 8210 8211 8212 8213 8214 8215 8216 8217 8218 8219 8220 8221 8222 8223 8224 8225 8226 8227 8228 8229 8230 8231 8232 8233 8234 8235 8236 8237 8238 8239 8240 8241 8242 8243 8244 8245 8246 8247 8248 8249 8250 8251 8252 8253 8254 8255 8256 8257 8258 8259 8260 8261 8262 8263 8264 8265 8266 8267 8268 8269 8270 8271 8272 8273 8274 8275 8276 8277 8278 8279 8280 8281 8282 8283 8284 8285 8286 8287 8288 8289 8290 8291 8292 8293 8294 8295 8296 8297 8298 8299 8300 8301 8302 8303 8304 8305 8306 8307 8308 8309 8310 8311 8312 8313 8314 8315 8316 8317 8318 8319 8320 8321 8322 8323 8324 8325 8326 8327 8328 8329 8330 8331 8332 8333 8334 8335 8336 8337 8338 8339 8340 8341 8342 8343 8344 8345 8346 8347 8348 8349 8350 8351 8352 8353 8354 8355 8356 8357 8358 8359 8360 8361 8362 8363 8364 8365 8366 8367 8368 8369 8370 8371 8372 8373 8374 8375 8376 8377 8378 8379 8380 8381 8382 8383 8384 8385 8386 8387 8388 8389 8390 8391 8392 8393 8394 8395 8396 8397 8398 8399 8400 8401 8402 8403 8404 8405 8406 8407 8408 8409 8410 8411 8412 8413 8414 8415 8416 8417 8418 8419 8420 8421 8422 8423 8424 8425 8426 8427 8428 8429 8430 8431 8432 8433 8434 8435 8436 8437 8438 8439 8440 8441 8442 8443 8444 8445 8446 8447 8448 8449 8450 8451 8452 8453 8454 8455 8456 8457 8458 8459 8460 8461 8462 8463 8464 8465 8466 8467 8468 8469 8470 8471 8472 8473 8474 8475 8476 8477 8478 8479 8480 8481 8482 8483 8484 8485 8486 8487 8488 8489 8490 8491 8492 8493 8494 8495 8496 8497 8498 8499 8500 8501 8502 8503 8504 8505 8506 8507 8508 8509 8510 8511 8512 8513 8514 8515 8516 8517 8518 8519 8520 8521 8522 8523 8524 8525 8526 8527 8528 8529 8530 8531 8532 8533 8534 8535 8536 8537 8538 8539 8540 8541 8542 8543 8544 8545 8546 8547 8548 8549 8550 8551 8552 8553 8554 8555 8556 8557 8558 8559 8560 8561 8562 8563 8564 8565 8566 8567 8568 8569 8570 8571 8572 8573 8574 8575 8576 8577 8578 8579 8580 8581 8582 8583 8584 8585 8586 8587 8588 8589 8590 8591 8592 8593 8594 8595 8596 8597 8598 8599 8600 8601 8602 8603 8604 8605 8606 8607 8608 8609 8610 8611 8612 8613 8614 8615 8616 8617 8618 8619 8620 8621 8622 8623 8624 8625 8626 8627 8628 8629 8630 8631 8632 8633 8634 8635 8636 8637 8638 8639 8640 8641 8642 8643 8644 8645 8646 8647 8648 8649 8650 8651 8652 8653 8654 8655 8656 8657 8658 8659 8660 8661 8662 8663 8664 8665 8666 8667 8668 8669 8670 8671 8672 8673 8674 8675 8676 8677 8678 8679 8680 8681 8682 8683 8684 8685 8686 8687 8688 8689 8690 8691 8692 8693 8694 8695 8696 8697 8698 8699 8700 8701 8702 8703 8704 8705 8706 8707 8708 8709 8710 8711 8712 8713 8714 8715 8716 8717 8718 8719 8720 8721 8722 8723 8724 8725 8726 8727 8728 8729 8730 8731 8732 8733 8734 8735 8736 8737 8738 8739 8740 8741 8742 8743 8744 8745 8746 8747 8748 8749 8750 8751 8752 8753 8754 8755 8756 8757 8758 8759 8760 8761 8762 8763 8764 8765 8766 8767 8768 8769 8770 8771 8772 8773 8774 8775 8776 8777 8778 8779 8780 8781 8782 8783 8784 8785 8786 8787 8788 8789 8790 8791 8792 8793 8794 8795 8796 8797 8798 8799 8800 8801 8802 8803 8804 8805 8806 8807 8808 8809 8810 8811 8812 8813 8814 8815 8816 8817 8818 8819 8820 8821 8822 8823 8824 8825 8826 8827 8828 8829 8830 8831 8832 8833 8834 8835 8836 8837 8838 8839 8840 8841 8842 8843 8844 8845 8846 8847 8848 8849 8850 8851 8852 8853 8854 8855 8856 8857 8858 8859 8860 8861 8862 8863 8864 8865 8866 8867 8868 8869 8870 8871 8872 8873 8874 8875 8876 8877 8878 8879 8880 8881 8882 8883 8884 8885 8886 8887 8888 8889 8890 8891 8892 8893 8894 8895 8896 8897 8898 8899 8900 8901 8902 8903 8904 8905 8906 8907 8908 8909 8910 8911 8912 8913 8914 8915 8916 8917 8918 8919 8920 8921 8922 8923 8924 8925 8926 8927 8928 8929 8930 8931 8932 8933 8934 8935 8936 8937 8938 8939 8940 8941 8942 8943 8944 8945 8946 8947 8948 8949 8950 8951 8952 8953 8954 8955 8956 8957 8958 8959 8960 8961 8962 8963 8964 8965 8966 8967 8968 8969 8970 8971 8972 8973 8974 8975 8976 8977 8978 8979 8980 8981 8982 8983 8984 8985 8986 8987 8988 8989 8990 8991 8992 8993 8994 8995 8996 8997 8998 8999 9000 9001 9002 9003 9004 9005 9006 9007 9008 9009 9010 9011 9012 9013 9014 9015 9016 9017 9018 9019 9020 9021 9022 9023 9024 9025 9026 9027 9028 9029 9030 9031 9032 9033 9034 9035 9036 9037 9038 9039 9040 9041 9042 9043 9044 9045 9046 9047 9048 9049 9050 9051 9052 9053 9054 9055 9056 9057 9058 9059 9060 9061 9062 9063 9064 9065 9066 9067 9068 9069 9070 9071 9072 9073 9074 9075 9076 9077 9078 9079 9080 9081 9082 9083 9084 9085 9086 9087 9088 9089 9090 9091 9092 9093 9094 9095 9096 9097 9098 9099 9100 9101 9102 9103 9104 9105 9106 9107 9108 9109 9110 9111 9112 9113 9114 9115 9116 9117 9118 9119 9120 9121 9122 9123 9124 9125 9126 9127 9128 9129 9130 9131 9132 9133 9134 9135 9136 9137 9138 9139 9140 9141 9142 9143 9144 9145 9146 9147 9148 9149 9150 9151 9152 9153 9154 9155 9156 9157 9158 9159 9160 9161 9162 9163 9164 9165 9166 9167 9168 9169 9170 9171 9172 9173 9174 9175 9176 9177 9178 9179 9180 9181 9182 9183 9184 9185 9186 9187 9188 9189 9190 9191 9192 9193 9194 9195 9196 9197 9198 9199 9200 9201 9202 9203 9204 9205 9206 9207 9208 9209 9210 9211 9212 9213 9214 9215 9216 9217 9218 9219 9220 9221 9222 9223 9224 9225 9226 9227 9228 9229 9230 9231 9232 9233 9234 9235 9236 9237 9238 9239 9240 9241 9242 9243 9244 9245 9246 9247 9248 9249 9250 9251 9252 9253 9254 9255 9256 9257 9258 9259 9260 9261 9262 9263 9264 9265 9266 9267 9268 9269 9270 9271 9272 9273 9274 9275 9276 9277 9278 9279 9280 9281 9282 9283 9284 9285 9286 9287 9288 9289 9290 9291 9292 9293 9294 9295 9296 9297 9298 9299 9300 9301 9302 9303 9304 9305 9306 9307 9308 9309 9310 9311 9312 9313 9314 9315 9316 9317 9318 9319 9320 9321 9322 9323 9324 9325 9326 9327 9328 9329 9330 9331 9332 9333 9334 9335 9336 9337 9338 9339 9340 9341 9342 9343 9344 9345 9346 9347 9348 9349 9350 9351 9352 9353 9354 9355 9356 9357 9358 9359 9360 9361 9362 9363 9364 9365 9366 9367 9368 9369 9370 9371 9372 9373 9374 9375 9376 9377 9378 9379 9380 9381 9382 9383 9384 9385 9386 9387 9388 9389 9390 9391 9392 9393 9394 9395 9396 9397 9398 9399 9400 9401 9402 9403 9404 9405 9406 9407 9408 9409 9410 9411 9412 9413 9414 9415 9416 9417 9418 9419 9420 9421 9422 9423 9424 9425 9426 9427 9428 9429 9430 9431 9432 9433 9434 9435 9436 9437 9438 9439 9440 9441 9442 9443 9444 9445 9446 9447 9448 9449 9450 9451 9452 9453 9454 9455 9456 9457 9458 9459 9460 9461 9462 9463 9464 9465 9466 9467 9468 9469 9470 9471 9472 9473 9474 9475 9476 9477 9478 9479 9480 9481 9482 9483 9484 9485 9486 9487 9488 9489 9490 9491 9492 9493 9494 9495 9496 9497 9498 9499 9500 9501 9502 9503 9504 9505 9506 9507 9508 9509 9510 9511 9512 9513 9514 9515 9516 9517 9518 9519 9520 9521 9522 9523 9524 9525 9526 9527 9528 9529 9530 9531 9532 9533 9534 9535 9536 9537 9538 9539 9540 9541 9542 9543 9544 9545 9546 9547 9548 9549 9550 9551 9552 9553 9554 9555 9556 9557 9558 9559 9560 9561 9562 9563 9564 9565 9566 9567 9568 9569 9570 9571 9572 9573 9574 9575 9576 9577 9578 9579 9580 9581 9582 9583 9584 9585 9586 9587 9588 9589 9590 9591 9592 9593 9594 9595 9596 9597 9598 9599 9600 9601 9602 9603 9604 9605 9606 9607 9608 9609 9610 9611 9612 9613 9614 9615 9616 9617 9618 9619 9620 9621 9622 9623 9624 9625 9626 9627 9628 9629 9630 9631 9632 9633 9634 9635 9636 9637 9638 9639 9640 9641 9642 9643 9644 9645 9646 9647 9648 9649 9650 9651 9652 9653 9654 9655 9656 9657 9658 9659 9660 9661 9662 9663 9664 9665 9666 9667 9668 9669 9670 9671 9672 9673 9674 9675 9676 9677 9678 9679 9680 9681 9682 9683 9684 9685 9686 9687 9688 9689 9690 9691 9692 9693 9694 9695 9696 9697 9698 9699 9700 9701 9702 9703 9704 9705 9706 9707 9708 9709 9710 9711 9712 9713 9714 9715 9716 9717 9718 9719 9720 9721 9722 9723 9724 9725 9726 9727 9728 9729 9730 9731 9732 9733 9734 9735 9736 9737 9738 9739 9740 9741 9742 9743 9744 9745 9746 9747 9748 9749 9750 9751 9752 9753 9754 9755 9756 9757 9758 9759 9760 9761 9762 9763 9764 9765 9766 9767 9768 9769 9770 9771 9772 9773 9774 9775 9776 9777 9778 9779 9780 9781 9782 9783 9784 9785 9786 9787 9788 9789 9790 9791 9792 9793 9794 9795 9796 9797 9798 9799 9800 9801 9802 9803 9804 9805 9806 9807 9808 9809 9810 9811 9812 9813 9814 9815 9816 9817 9818 9819 9820 9821 9822 9823 9824 9825 9826 9827 9828 9829 9830 9831 9832 9833 9834 9835 9836 9837 9838 9839 9840 9841 9842 9843 9844 9845 9846 9847 9848 9849 9850 9851 9852 9853 9854 9855 9856 9857 9858 9859 9860 9861 9862 9863 9864 9865 9866 9867 9868 9869 9870 9871 9872 9873 9874 9875 9876 9877 9878 9879 9880 9881 9882 9883 9884 9885 9886 9887 9888 9889 9890 9891 9892 9893 9894 9895 9896 9897 9898 9899 9900 9901 9902 9903 9904 9905 9906 9907 9908 9909 9910 9911 9912 9913 9914 9915 9916 9917 9918 9919 9920 9921 9922 9923 9924 9925 9926 9927 9928 9929 9930 9931 9932 9933 9934 9935 9936 9937 9938 9939 9940 9941 9942 9943 9944 9945 9946 9947 9948 9949 9950 9951 9952 9953 9954 9955 9956 9957 9958 9959 9960 9961 9962 9963 9964 9965 9966 9967 9968 9969 9970 9971 9972 9973 9974 9975 9976 9977 9978 9979 9980 9981 9982 9983 9984 9985 9986 9987 9988 9989 9990 9991 9992 9993 9994 9995 9996 9997 9998 9999 10000 10001 10002 10003 10004 10005 10006 10007 10008 10009 10010 10011 10012 10013 10014 10015 10016 10017 10018 10019 10020 10021 10022 10023 10024 10025 10026 10027 10028 10029 10030 10031 10032 10033 10034 10035 10036 10037 10038 10039 10040 10041 10042 10043 10044 10045 10046 10047 10048 10049 10050 10051 10052 10053 10054 10055 10056 10057 10058 10059 10060 10061 10062 10063 10064 10065 10066 10067 10068 10069 10070 10071 10072 10073 10074 10075 10076 10077 10078 10079 10080 10081 10082 10083 10084 10085 10086 10087 10088 10089 10090 10091 10092 10093 10094 10095 10096 10097 10098 10099 10100 10101 10102 10103 10104 10105 10106 10107 10108 10109 10110 10111 10112 10113 10114 10115 10116 10117 10118 10119 10120 10121 10122 10123 10124 10125 10126 10127 10128 10129 10130 10131 10132 10133 10134 10135 10136 10137 10138 10139 10140 10141 10142 10143 10144 10145 10146 10147 10148 10149 10150 10151 10152 10153 10154 10155 10156 10157 10158 10159 10160 10161 10162 10163 10164 10165 10166 10167 10168 10169 10170 10171 10172 10173 10174 10175 10176 10177 10178 10179 10180 10181 10182 10183 10184 10185 10186 10187 10188 10189 10190 10191 10192 10193 10194 10195 10196 10197 10198 10199 10200 10201 10202 10203 10204 10205 10206 10207 10208 10209 10210 10211 10212 10213 10214 10215 10216 10217 10218 10219 10220 10221 10222 10223 10224 10225 10226 10227 10228 10229 10230 10231 10232 10233 10234 10235 10236 10237 10238 10239 10240 10241 10242 10243 10244 10245 10246 10247 10248 10249 10250 10251 10252 10253 10254 10255 10256 10257 10258 10259 10260 10261 10262 10263 10264 10265 10266 10267 10268 10269 10270 10271 10272 10273 10274 10275 10276 10277 10278 10279 10280 10281 10282 10283 10284 10285 10286 10287 10288 10289 10290 10291 10292 10293 10294 10295 10296 10297 10298 10299 10300 10301 10302 10303 10304 10305 10306 10307 10308 10309 10310 10311 10312 10313 10314 10315 10316 10317 10318 10319 10320 10321 10322 10323 10324 10325 10326 10327 10328 10329 10330 10331 10332 10333 10334 10335 10336 10337 10338 10339 10340 10341 10342 10343 10344 10345 10346 10347 10348 10349 10350 10351 10352 10353 10354 10355 10356 10357 10358 10359 10360 10361 10362 10363 10364 10365 10366 10367 10368 10369 10370 10371 10372 10373 10374 10375 10376 10377 10378 10379 10380 10381 10382 10383 10384 10385 10386 10387 10388 10389 10390 10391 10392 10393 10394 10395 10396 10397 10398 10399 10400 10401 10402 10403 10404 10405 10406 10407 10408 10409 10410 10411 10412 10413 10414 10415 10416 10417 10418 10419 10420 10421 10422 10423 10424 10425 10426 10427 10428 10429 10430 10431 10432 10433 10434 10435 10436 10437 10438 10439 10440 10441 10442 10443 10444 10445 10446 10447 10448 10449 10450 10451 10452 10453 10454 10455 10456 10457 10458 10459 10460 10461 10462 10463 10464 10465 10466 10467 10468 10469 10470 10471 10472 10473 10474 10475 10476 10477 10478 10479 10480 10481 10482 10483 10484 10485 10486 10487 10488 10489 10490 10491 10492 10493 10494 10495 10496 10497 10498 10499 10500 10501 10502 10503 10504 10505 10506 10507 10508 10509 10510 10511 10512 10513 10514 10515 10516 10517 10518 10519 10520 10521 10522 10523 10524 10525 10526 10527 10528 10529 10530 10531 10532 10533 10534 10535 10536 10537 10538 10539 10540 10541 10542 10543 10544 10545 10546 10547 10548 10549 10550 10551 10552 10553 10554 10555 10556 10557 10558 10559 10560 10561 10562 10563 10564 10565 10566 10567 10568 10569 10570 10571 10572 10573 10574 10575 10576 10577 10578 10579 10580 10581 10582 10583 10584 10585 10586 10587 10588 10589 10590 10591 10592 10593 10594 10595 10596 10597 10598 10599 10600 10601 10602 10603 10604 10605 10606 10607 10608 10609 10610 10611 10612 10613 10614 10615
|
******************************************************************************
PSI3 started on augustus.chemistry.gatech.edu at Wed Mar 12 18:28:20 2008
-----------------------------------------------------------------------
PSI3: An Open-Source Ab Initio Electronic Structure Package
Version 3.4 Alpha
T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King,
M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny,
and W. D. Allen, J. Comput. Chem. 28, 1610-1616 (2007)
-----------------------------------------------------------------------
PSI3 will perform a UHF EOM_CCSD energy computation.
The following programs will be executed:
input
cints
cscf
transqt2
ccsort
ccenergy
cchbar
cceom
psiclean
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:20 2008
--------------
INPUT
--------------
LABEL = 3B1 CH2 cc-pVDZ/UHF-EOM-CCSD Energies
SHOWNORM = 0
PUREAM = 0
PRINT_LVL = 1
Parsed basis sets from /theoryfs/ds/home/ashley/psi3/lib/pbasis.dat
Coordinates after reading z-matrices
1 2 3
1 0.0000000 0.0000000 0.0000000
2 0.0000000 0.0000000 2.0786986
3 1.9654481 0.0000000 -0.6767581
-Geometry before Center-of-Mass shift (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON 0.000000000000 0.000000000000 0.000000000000
HYDROGEN 0.000000000000 0.000000000000 2.078698587437
HYDROGEN 1.965448127494 0.000000000000 -0.676758062785
-Rotational constants (cm-1) :
A = 23.93977 B = 10.42855 C = 7.26416
It is an asymmetric top.
-Geometry after Center-of-Mass shift and reorientation (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON -0.000000000000 -0.173599091671 -0.000000000000
HYDROGEN 1.692300778018 1.033507322086 0.000000000000
HYDROGEN -1.692300778018 1.033507322086 0.000000000000
-SYMMETRY INFORMATION:
Computational point group is C2v
Number of irr. rep. = 4
Number of atoms = 3
Number of unique atoms = 2
-BASIS SETS:
-Basis set on unique center 1:
( (S ( 6665.00000000 0.00069200)
( 1000.00000000 0.00532900)
( 228.00000000 0.02707700)
( 64.71000000 0.10171800)
( 21.06000000 0.27474000)
( 7.49500000 0.44856400)
( 2.79700000 0.28507400)
( 0.52150000 0.01520400)
( 0.15960000 -0.00319100) )
(S ( 6665.00000000 -0.00014600)
( 1000.00000000 -0.00115400)
( 228.00000000 -0.00572500)
( 64.71000000 -0.02331200)
( 21.06000000 -0.06395500)
( 7.49500000 -0.14998100)
( 2.79700000 -0.12726200)
( 0.52150000 0.54452900)
( 0.15960000 0.58049600) )
(S ( 0.15960000 1.00000000) )
(P ( 9.43900000 0.03810900)
( 2.00200000 0.20948000)
( 0.54560000 0.50855700)
( 0.15170000 0.46884200) )
(P ( 0.15170000 1.00000000) )
(D ( 0.55000000 1.00000000) )
)
-Basis set on unique center 2:
( (S ( 13.01000000 0.01968500)
( 1.96200000 0.13797700)
( 0.44460000 0.47814800)
( 0.12200000 0.50124000) )
(S ( 0.12200000 1.00000000) )
(P ( 0.72700000 1.00000000) )
)
-BASIS SET INFORMATION:
Total number of shells = 12
Number of primitives = 31
Number of AO = 25
Number of SO = 24
Irrep Number of SO
----- ------------
1 11
2 2
3 4
4 7
-Unique atoms in the canonical coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON -0.000000000000 -0.000000000000 -0.173599091671
HYDROGEN 0.000000000000 1.692300778018 1.033507322086
-Geometry in the canonical coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON -0.000000000000 -0.000000000000 -0.173599091671
HYDROGEN 0.000000000000 1.692300778018 1.033507322086
HYDROGEN 0.000000000000 -1.692300778018 1.033507322086
-Geometry in the canonical coordinate system (Angstrom):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON -0.000000000000 -0.000000000000 -0.091864689759
HYDROGEN 0.000000000000 0.895527070192 0.546908561523
HYDROGEN 0.000000000000 -0.895527070192 0.546908561523
-Geometry in the reference coordinate system (a.u.):
Center X Y Z
------------ ----------------- ----------------- -----------------
CARBON -0.000000000000 -0.000000000000 -0.173599091671
HYDROGEN 0.000000000000 1.692300778018 1.033507322086
HYDROGEN 0.000000000000 -1.692300778018 1.033507322086
--------------------------------------------------------------------------
Nuclear Repulsion Energy (a.u.) = 6.068298468967
-The Interatomic Distances in angstroms:
1 2 3
1 0.0000000
2 1.1000000 0.0000000
3 1.1000000 1.7910541 0.0000000
Note: To print *all* bond angles, out-of-plane
angles, and torsion angles set print = 3
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:20 2008
user time = 0.04 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:20 2008
--------------------------------------------
CINTS: An integrals program written in C
Justin T. Fermann and Edward F. Valeev
--------------------------------------------
-OPTIONS:
Print level = 1
Integral tolerance = 1e-15
Max. memory to use = 2500000 double words
Number of threads = 1
LIBINT's real type length = 64 bit
-CALCULATION CONSTANTS:
Label = 3B1 CH2 cc-pVDZ/UHF-EOM-CCSD Energies
Number of atoms = 3
Number of atomic orbitals = 25
Number of symmetry orbitals = 24
Maximum AM in the basis = 2
-SYMMETRY INFORMATION;
Computational point group = C2v
Number of irreps = 4
Wrote 11412 two-electron integrals to IWL file 33
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
user time = 0.05 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 1 seconds = 0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
------------------------------------------
CSCF3.0: An SCF program written in C
Written by too many people to mention here
------------------------------------------
label = 3B1 CH2 cc-pVDZ/UHF-EOM-CCSD Energies
wfn = EOM_CCSD
reference = UHF
multiplicity = 3
charge = 0
direct = false
dertype = NONE
convergence = 10
maxiter = 100
guess = AUTO
nuclear repulsion energy 6.0682984689667
first run, so defaulting to core-hamiltonian guess
level shift = 0.100000
level shifting will stop after 10 cycles
diis scale factor = 1.000000
iterations before extrapolation = 0
6 error matrices will be kept
keeping integrals in 92528 bytes of core
The lowest eigenvalue of the overlap matrix was 1.651711e-02
Using core guess to determine occupations
Symmetry block: A1 A2 B1 B2
DOCC: 2 0 0 1
SOCC: 1 0 1 0
reading integrals in the IWL format from files 33,35,36,37
5210 integrals written to file92 in 1 buffers
0 integrals written to file93 in 1 buffers
wrote 0 integrals to file92
iter total energy delta E delta P diiser
1 -35.1222670659 4.119057e+01 0.000000e+00 0.000000e+00
2 -38.0761988757 2.953932e+00 1.639865e-01 7.061900e-01
3 -38.9011380802 8.249392e-01 4.317486e-02 3.592252e-01
4 -38.9157987444 1.466066e-02 7.112049e-03 4.573374e-02
5 -38.9172166053 1.417861e-03 1.957828e-03 1.262018e-02
6 -38.9173678520 1.512467e-04 4.895604e-04 3.475644e-03
7 -38.9173783329 1.048086e-05 1.323730e-04 1.259240e-03
8 -38.9173786552 3.223361e-07 1.985184e-05 2.209099e-04
9 -38.9173786876 3.237454e-08 6.170093e-06 6.345573e-05
10 -38.9173786937 6.135807e-09 2.490129e-06 2.618416e-05
11 -38.9173786948 1.008409e-09 1.128789e-06 8.614163e-06
12 -38.9173786948 4.143885e-11 2.425072e-07 1.979178e-06
13 -38.9173786948 1.406875e-12 6.173241e-08 3.867729e-07
14 -38.9173786948 1.634248e-13 1.763631e-08 1.520704e-07
15 -38.9173786948 4.263256e-14 6.729625e-09 6.068479e-08
16 -38.9173786948 0.000000e+00 1.079162e-09 1.305094e-08
17 -38.9173786948 -1.421085e-14 4.048121e-10 3.115327e-09
18 -38.9173786948 0.000000e+00 1.483328e-10 1.792550e-09
19 -38.9173786948 -2.131628e-14 7.767968e-11 7.391943e-10
Orbital energies (a.u.):
Alpha Occupied orbitals
1A1 -11.279808 2A1 -0.948183 1B2 -0.574840
3A1 -0.492222 1B1 -0.413890
Alpha Unoccupied orbitals
4A1 0.199574 2B2 0.255473 3B2 0.587217
5A1 0.632444 2B1 0.650424 6A1 0.740599
4B2 0.855150 7A1 1.006855 1A2 1.182747
8A1 1.193228 3B1 1.244502 9A1 1.721416
5B2 1.726796 6B2 1.928609 4B1 1.997867
2A2 2.036720 10A1 2.315622 11A1 2.698261
7B2 2.743850
Beta Occupied orbitals
1A1 -11.228970 2A1 -0.783471 1B2 -0.535233
Beta Unoccupied orbitals
3A1 0.105281 1B1 0.159004 4A1 0.221021
2B2 0.285269 3B2 0.620941 5A1 0.737973
2B1 0.822031 6A1 0.832333 4B2 0.906448
7A1 1.062089 1A2 1.257736 8A1 1.303650
3B1 1.383571 5B2 1.732543 9A1 1.810140
6B2 1.988311 4B1 2.039560 2A2 2.087798
10A1 2.350790 11A1 2.720421 7B2 2.769589
* SCF total energy = -38.917378694797
kinetic energy = 38.850894824901
nuc. attr. energy = -102.565631633956
elec. rep. energy = 24.797358114258
potential energy = -77.768273519697
virial theorem = 1.998291666291
wavefunction norm = 1.000000000000
<S^2> = 2.012101993625
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
user time = 0.01 seconds = 0.00 minutes
system time = 0.00 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
**************************************************
* TRANSQT2: Program to transform integrals from *
* the SO basis to the MO basis. *
* *
* Daniel, David, & Justin *
**************************************************
Input parameters:
-----------------
Wave function = EOM_CCSD
Backtransform = No
Print Level = 1
Print TEIs = No
Reference wfn = UHF
Derivative = None
Delete TEI File = Yes
Memory (Mbytes) = 256.0
Cache Level = 2
Cache Type = LRU
Chkpt Parameters:
--------------------
Number of irreps = 4
Number of SOs = 24
Number of MOs = 24
Number of active MOs = 24
Label # SOs # FZDC # DOCC # SOCC # VIRT # FZVR
----- ----- ------ ------ ------ ------ ------
A1 11 0 2 1 8 0
A2 2 0 0 0 2 0
B1 4 0 0 1 3 0
B2 7 0 1 0 6 0
Nuclear Rep. energy (chkpt) = 6.06829846896672
SCF energy (chkpt) = -38.91737869479653
Presorting SO-basis two-electron integrals.
Sorting File: SO Ints (pq,rs) nbuckets = 1
Frozen-core energy = 0.000000000000000
Starting AA/AB first half-transformation.
Sorting AA/AB half-transformed integrals.
Starting AA second half-transformation.
Starting AB second half-transformation.
Starting BB first half-transformation.
Sorting BB half-transformed integrals.
Starting BB second half-transformation.
Two-electron integral transformation complete.
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
user time = 0.03 seconds = 0.00 minutes
system time = 0.02 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
**************************
* *
* CCSORT *
* *
**************************
Input parameters:
-----------------
Wave function = EOM_CCSD
Reference wfn = UHF
Derivative = None
Memory (Mbytes) = 256.0
AO Basis = NONE
Make (ab|cd) = True
Cache Level = 2
Cache Type = LRU
Local CC = No
Chkpt Parameters:
--------------------
Number of irreps = 4
Number of MOs = 24
Number of active MOs = 24
Label # MOs # FZDC # DOCC # SOCC # VIRT # FZVR
----- ----- ------ ------ ------ ------ ------
A1 11 0 2 1 8 0
A2 2 0 0 0 2 0
B1 4 0 0 1 3 0
B2 7 0 1 0 6 0
Nuclear Rep. energy (chkpt) = 6.06829846896672
SCF energy (chkpt) = -38.91737869479653
Size of irrep 0 of <AB|CD> integrals: 0.002 (MW) / 0.018 (MB)
Size of irrep 1 of <AB|CD> integrals: 0.001 (MW) / 0.009 (MB)
Size of irrep 2 of <AB|CD> integrals: 0.001 (MW) / 0.010 (MB)
Size of irrep 3 of <AB|CD> integrals: 0.003 (MW) / 0.023 (MB)
Total: 0.008 (MW) / 0.061 (MB)
Size of irrep 0 of <ab|cd> integrals: 0.003 (MW) / 0.027 (MB)
Size of irrep 1 of <ab|cd> integrals: 0.002 (MW) / 0.014 (MB)
Size of irrep 2 of <ab|cd> integrals: 0.002 (MW) / 0.018 (MB)
Size of irrep 3 of <ab|cd> integrals: 0.004 (MW) / 0.031 (MB)
Total: 0.011 (MW) / 0.090 (MB)
Size of irrep 0 of <Ab|Cd> integrals: 0.015 (MW) / 0.123 (MB)
Size of irrep 1 of <Ab|Cd> integrals: 0.006 (MW) / 0.046 (MB)
Size of irrep 2 of <Ab|Cd> integrals: 0.007 (MW) / 0.055 (MB)
Size of irrep 3 of <Ab|Cd> integrals: 0.013 (MW) / 0.108 (MB)
Total: 0.041 (MW) / 0.332 (MB)
Size of irrep 0 of <IA|BC> integrals: 0.004 (MW) / 0.030 (MB)
Size of irrep 1 of <IA|BC> integrals: 0.001 (MW) / 0.008 (MB)
Size of irrep 2 of <IA|BC> integrals: 0.001 (MW) / 0.011 (MB)
Size of irrep 3 of <IA|BC> integrals: 0.003 (MW) / 0.024 (MB)
Total: 0.009 (MW) / 0.073 (MB)
Size of irrep 0 of <ia|bc> integrals: 0.003 (MW) / 0.026 (MB)
Size of irrep 1 of <ia|bc> integrals: 0.001 (MW) / 0.005 (MB)
Size of irrep 2 of <ia|bc> integrals: 0.001 (MW) / 0.008 (MB)
Size of irrep 3 of <ia|bc> integrals: 0.003 (MW) / 0.021 (MB)
Total: 0.008 (MW) / 0.060 (MB)
Size of irrep 0 of <Ia|Bc> integrals: 0.005 (MW) / 0.037 (MB)
Size of irrep 1 of <Ia|Bc> integrals: 0.001 (MW) / 0.010 (MB)
Size of irrep 2 of <Ia|Bc> integrals: 0.002 (MW) / 0.015 (MB)
Size of irrep 3 of <Ia|Bc> integrals: 0.003 (MW) / 0.027 (MB)
Total: 0.011 (MW) / 0.089 (MB)
Size of irrep 0 of <iA|bC> integrals: 0.003 (MW) / 0.022 (MB)
Size of irrep 1 of <iA|bC> integrals: 0.001 (MW) / 0.004 (MB)
Size of irrep 2 of <iA|bC> integrals: 0.001 (MW) / 0.005 (MB)
Size of irrep 3 of <iA|bC> integrals: 0.002 (MW) / 0.019 (MB)
Total: 0.006 (MW) / 0.050 (MB)
Size of irrep 0 of tIjAb amplitudes: 0.001 (MW) / 0.007 (MB)
Size of irrep 1 of tIjAb amplitudes: 0.000 (MW) / 0.001 (MB)
Size of irrep 2 of tIjAb amplitudes: 0.000 (MW) / 0.001 (MB)
Size of irrep 3 of tIjAb amplitudes: 0.001 (MW) / 0.005 (MB)
Total: 0.002 (MW) / 0.014 (MB)
Sorting File: A <IJ|KL> nbuckets = 1
Sorting File: B <AB|CD> nbuckets = 1
Sorting File: C <IA|JB> nbuckets = 1
Sorting File: D <IJ|AB> nbuckets = 1
Sorting File: E <AI|JK> nbuckets = 1
Sorting File: F <IA|BC> nbuckets = 1
Sorting File: F <AI|BC> nbuckets = 1
Sorting File: A <ij|kl> nbuckets = 1
Sorting File: B <ab|cd> nbuckets = 1
Sorting File: C <ia|jb> nbuckets = 1
Sorting File: D <ij|ab> nbuckets = 1
Sorting File: E <ai|jk> nbuckets = 1
Sorting File: F <ia|bc> nbuckets = 1
Sorting File: F <ai|bc> nbuckets = 1
Sorting File: A <Ij|Kl> nbuckets = 1
Sorting File: B <Ab|Cd> nbuckets = 1
Sorting File: C <Ia|Jb> nbuckets = 1
Sorting File: C <Ai|Bj> nbuckets = 1
Sorting File: D <Ij|Ab> nbuckets = 1
Sorting File: E <Ai|Jk> nbuckets = 1
Sorting File: E <Ij|Ka> nbuckets = 1
Sorting File: F <Ia|Bc> nbuckets = 1
Sorting File: F <aI|bC> nbuckets = 1
Sorting File: F <Ab|Ci> nbuckets = 1
Sorting File: F <Ai|Bc> nbuckets = 1
One-electron energy = -63.71473680905491
Two-electron (AA) energy = 5.37013803130590
Two-electron (BB) energy = 1.64169193186856
Two-electron (AB) energy = 11.71722968211716
Two-electron energy = 18.72905964529162
Frozen-core energy (transqt) = 0.00000000000000
Reference energy = -38.91737869479656
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
user time = 0.05 seconds = 0.00 minutes
system time = 0.04 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:21 2008
**************************
* *
* CCENERGY *
* *
**************************
Nuclear Rep. energy (chkpt) = 6.068298468966722
SCF energy (chkpt) = -38.917378694796533
Reference energy (file100) = -38.917378694796561
Input parameters:
-----------------
Wave function = EOM_CCSD
Reference wfn = UHF
Memory (Mbytes) = 256.0
Maxiter = 50
Convergence = 1.0e-07
Restart = Yes
DIIS = Yes
AO Basis = NONE
ABCD = NEW
Cache Level = 2
Cache Type = LRU
Print Level = 0
Num. of threads = 1
# Amps to Print = 10
Print MP2 Amps? = No
Analyze T2 Amps = No
Print Pair Ener = No
Local CC = No
Solving CC Amplitude Equations
------------------------------
Iter Energy RMS T1Diag D1Diag New D1Diag
---- --------------------- --------- ---------- ---------- ----------
0 -0.095353980748937 0.000e+00 0.000000 0.000000 0.000000
1 -0.110266541554961 3.737e-02 0.005013 0.000000 0.000000
2 -0.114891350445652 1.453e-02 0.008836 0.000000 0.000000
3 -0.115324837511501 5.355e-03 0.010951 0.000000 0.000000
4 -0.115365470769592 1.590e-03 0.011467 0.000000 0.000000
5 -0.115363318638005 4.133e-04 0.011469 0.000000 0.000000
6 -0.115368448424658 1.485e-04 0.011447 0.000000 0.000000
7 -0.115368911480364 5.418e-05 0.011431 0.000000 0.000000
8 -0.115368686568771 1.449e-05 0.011427 0.000000 0.000000
9 -0.115368890969640 3.829e-06 0.011426 0.000000 0.000000
10 -0.115368892885811 1.230e-06 0.011426 0.000000 0.000000
11 -0.115368874807328 2.944e-07 0.011426 0.000000 0.000000
12 -0.115368877467814 7.396e-08 0.011426 0.000000 0.000000
Iterations converged.
Largest TIA Amplitudes:
1 0 -0.0061202777
4 13 -0.0055757557
1 2 -0.0053728909
1 1 -0.0045269844
3 10 0.0044643214
4 17 0.0042945237
3 11 -0.0042615572
4 14 0.0041869431
2 1 0.0034574951
2 4 0.0033930095
Largest Tia Amplitudes:
1 0 -0.0201527673
1 2 -0.0108376317
2 17 -0.0099808141
2 15 -0.0066459858
2 19 0.0061259540
1 6 -0.0055673797
1 4 0.0049145432
1 5 0.0037649766
2 20 -0.0032881320
1 1 0.0032013163
Largest TIJAB Amplitudes:
3 2 10 1 -0.0308037382
4 3 8 2 -0.0236253276
3 2 11 4 0.0219460059
4 3 15 10 0.0209042516
4 3 13 10 0.0206618930
4 2 13 1 0.0197290042
4 2 15 1 0.0196745293
3 2 10 2 0.0173927176
4 2 14 4 -0.0154691818
4 2 14 2 -0.0154634286
Largest Tijab Amplitudes:
2 1 11 9 0.0103227606
2 1 16 1 0.0077371135
2 1 16 0 0.0077090188
2 1 16 3 0.0072993216
2 1 15 0 -0.0068600068
2 1 17 0 -0.0067733797
2 1 15 1 0.0066037841
2 1 17 4 0.0063165632
2 1 15 4 0.0061108819
2 1 12 9 0.0045929586
Largest TIjAb Amplitudes:
4 2 15 17 0.0339373948
4 2 13 15 0.0325022802
3 1 2 11 0.0318051313
4 2 13 17 0.0297797848
4 2 2 2 0.0291206395
4 2 14 16 0.0279412298
3 2 10 17 -0.0258275139
2 1 4 0 -0.0257444556
4 2 15 15 0.0257199792
3 2 10 15 -0.0255216150
SCF energy (chkpt) = -38.917378694796533
Reference energy (file100) = -38.917378694796561
MP2 correlation energy = -0.095353980748937
* MP2 total energy = -39.012732675545500
CCSD correlation energy = -0.115368877467814
* CCSD total energy = -39.032747572264377
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:22 2008
user time = 0.32 seconds = 0.01 minutes
system time = 0.16 seconds = 0.00 minutes
total time = 1 seconds = 0.02 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:22 2008
**************************
* *
* CCHBAR *
* *
**************************
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:22 2008
user time = 0.04 seconds = 0.00 minutes
system time = 0.05 seconds = 0.00 minutes
total time = 0 seconds = 0.00 minutes
******************************************************************************
tstart called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:22 2008
**********************************************************
* CCEOM: An Equation of Motion Coupled Cluster Program *
**********************************************************
Nuclear Rep. energy (chkpt) = 6.068298468966722
SCF energy (chkpt) = -38.917378694796533
Reference energy (file100) = -38.917378694796561
CCSD energy (file100) = -0.115368877467814
Input parameters:
-----------------
Reference wfn = UHF
Reference EOM wfn= UHF
Memory (Mbytes) = 256.0
AO Basis = No
ABCD = NEW
Cache Level = 2
Cache Type = LRU
Num. of threads = 1
Local CC = No
CCEOM parameters:
-----------------
States sought per irrep = A1 2, A2 2, B1 2, B2 2,
Max. number of iterations = 320
Vectors stored per root = 12
Print HbarSS iterations? = 0
Excitation range for HBarSS = 2
Eigenvalue tolerance = 1.0e-08
Eigenvalue toleranceSS = 1.0e-06
Residual vector tolerance = 1.0e-06
Residual vector toleranceSS = 1.0e-06
Complex tolerance = 1.0e-12
Root for properties = 2
Sym of state for properties = A2
Guess vectors taken from = SINGLES
Restart EOM CC3 = NO
Collapse with last vector = YES
Fae dot Fae total 95.2864206481
Fmi dot Fmi total 256.0985724264
WmBeJ and WMbEj dots 0.4826991494
Symmetry of ground state: B1
Symmetry of excited state: B1
Symmetry of right eigenvector: A1
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)= 0.9032253267
SigmaSS, D(norm sigma)= 0.3245132069
SigmaSS, D(norm sigma)= -0.7628175442
SigmaSS, D(norm sigma)= 0.3412434428
SigmaSS, D(norm sigma)= 9.9617667524
SigmaSS, D(norm sigma)= 0.3479668201
SigmaSS, D(norm sigma)= -10.5244865832
SigmaSS, D(norm sigma)= 0.1900516637
SigmaSS, D(norm sigma)= -0.0388663326
SigmaSS, D(norm sigma)= 0.5248520859
SigmaSS, D(norm sigma)= -0.6548658394
SigmaSS, D(norm sigma)= 0.2686072413
SigmaSS, D(norm sigma)= -0.2756984769
SigmaSS, D(norm sigma)= 0.2742465657
SigmaSS, D(norm sigma)= -0.4210822207
SigmaSS, D(norm sigma)= 0.0824182850
SigmaSS, D(norm sigma)= -0.0824182850
SigmaSS, D(norm sigma)= 0.0824182850
SigmaSS, D(norm sigma)= 0.5481249698
SigmaSS, D(norm sigma)= 0.0315093798
SigmaSS, D(norm sigma)= -0.6845202952
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= -0.0587248834
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= 0.6524211451
SigmaSS, D(norm sigma)= 0.2071052144
SigmaSS, D(norm sigma)= -0.9182512429
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= 0.6524211451
SigmaSS, D(norm sigma)= 0.2071052144
SigmaSS, D(norm sigma)= 0.3326345830
SigmaSS, D(norm sigma)= 0.1786066528
SigmaSS, D(norm sigma)= -1.4294924787
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= 0.6524211451
SigmaSS, D(norm sigma)= 0.2071052144
SigmaSS, D(norm sigma)= 0.3326345830
SigmaSS, D(norm sigma)= 0.1786066528
SigmaSS, D(norm sigma)= 0.1289088164
SigmaSS, D(norm sigma)= 0.2812255063
SigmaSS, D(norm sigma)= -1.8396268014
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= 0.6524211451
SigmaSS, D(norm sigma)= 0.2071052144
SigmaSS, D(norm sigma)= 0.3326345830
SigmaSS, D(norm sigma)= 0.1786066528
SigmaSS, D(norm sigma)= 0.1289088164
SigmaSS, D(norm sigma)= 0.2812255063
SigmaSS, D(norm sigma)= 1.3900074197
SigmaSS, D(norm sigma)= -0.7746309873
SigmaSS, D(norm sigma)= -2.4550032339
SigmaSS, D(norm sigma)= 0.0587248834
SigmaSS, D(norm sigma)= 0.6524211451
SigmaSS, D(norm sigma)= 0.2071052144
SigmaSS, D(norm sigma)= 0.3326345830
SigmaSS, D(norm sigma)= 0.1786066528
SigmaSS, D(norm sigma)= 0.1289088164
SigmaSS, D(norm sigma)= 0.2812255063
SigmaSS, D(norm sigma)= 1.3900074197
SigmaSS, D(norm sigma)= -0.7746309873
SigmaSS, D(norm sigma)= 2.6819623701
SigmaSS, D(norm sigma)= -0.7379404170
SigmaSS, D(norm sigma)= -4.4002038493
SigmaSS, D(norm sigma)= 0.0584824752
SigmaSS, D(norm sigma)= -0.0584824752
SigmaSS, D(norm sigma)= 0.0584824752
SigmaSS, D(norm sigma)= 2.0884233945
SigmaSS, D(norm sigma)= 0.0456790962
SigmaSS, D(norm sigma)= -2.1925849659
SigmaSS, D(norm sigma)= 0.0584824752
SigmaSS, D(norm sigma)= 2.0884233945
SigmaSS, D(norm sigma)= 0.0456790962
SigmaSS, D(norm sigma)= 2.7418242539
SigmaSS, D(norm sigma)= -0.4673174044
SigmaSS, D(norm sigma)= -4.4670918154
SigmaSS, D(norm sigma)= 0.0584824752
SigmaSS, D(norm sigma)= 2.0884233945
SigmaSS, D(norm sigma)= 0.0456790962
SigmaSS, D(norm sigma)= 2.7418242539
SigmaSS, D(norm sigma)= -0.4673174044
SigmaSS, D(norm sigma)= 1.3547006138
SigmaSS, D(norm sigma)= 0.1423816781
SigmaSS, D(norm sigma)= -5.9641741074
SigmaSS, D(norm sigma)= 0.0584824752
SigmaSS, D(norm sigma)= 2.0884233945
SigmaSS, D(norm sigma)= 0.0456790962
SigmaSS, D(norm sigma)= 2.7418242539
SigmaSS, D(norm sigma)= -0.4673174044
SigmaSS, D(norm sigma)= 1.3547006138
SigmaSS, D(norm sigma)= 0.1423816781
SigmaSS, D(norm sigma)= -0.2031271858
Done.
DPD File2: CME 0
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 0
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 8
Irrep: 1 row = 0 col = 2
Irrep: 2 row = 1 col = 3
Irrep: 3 row = 1 col = 6
File 141 DPD File2: CME 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 0) -0.000455743228934 0.000046180497393 -0.000201534579081 0.000491566195065 -0.000205087126088 -0.000185240193001 0.000083952745944 0.000137228514653
1 ( 1) -0.047006119842860 0.027148729001939 -0.024620431284489 0.010296363507255 -0.002282767863188 -0.013267396836148 0.001965341052062 0.000076328744207
2 ( 2) -0.931872167291817 -0.009793713388949 -0.087042555202882 0.096694332128762 0.001220326253195 0.007569358941658 0.002168706137304 0.006386019695211
File 141 DPD File2: CME 0
Matrix for Irrep 1
----------------------------------------
0 1
( 8) ( 9)
File 141 DPD File2: CME 0
Matrix for Irrep 2
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 3) -0.027471966023893 -0.001937651798917 -0.000668001727811
File 141 DPD File2: CME 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 4) -0.187549649923328 0.012323893851748 -0.045203391331774 0.002773805532407 0.008505438934970 0.000673945658855
DPD File2: Cme 0
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 0
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 9
Irrep: 1 row = 0 col = 2
Irrep: 2 row = 0 col = 4
Irrep: 3 row = 1 col = 6
File 142 DPD File2: Cme 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 0) 0.000192619609436 0.000249347088660 0.000210185276650 0.000550079476421 0.000201532753659 -0.000099230066806 0.000138289131406 -0.000066514473578 0.000397397013054
1 ( 1) -0.098390940325046 0.096075646901751 -0.017435842309124 0.033182085271799 0.031519004700955 -0.001159450074460 0.010100238192077 -0.001018158631258 0.003476270674578
File 142 DPD File2: Cme 0
Matrix for Irrep 1
----------------------------------------
0 1
( 9) ( 10)
File 142 DPD File2: Cme 0
Matrix for Irrep 2
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
File 142 DPD File2: Cme 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
0 ( 2) -0.214687794958078 0.016062702613430 -0.066948114972678 -0.006348601566685 -0.011337415129445 -0.002674016545126
DPD File2: CME 1
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 0
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 8
Irrep: 1 row = 0 col = 2
Irrep: 2 row = 1 col = 3
Irrep: 3 row = 1 col = 6
File 141 DPD File2: CME 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 0) -0.000040321632950 -0.000571913474180 0.000375071097657 0.000227318148028 0.000192620092211 -0.000148409342275 -0.000323040083089 -0.000036674438079
1 ( 1) -0.077715752972732 -0.021489098782641 -0.013138596615953 0.036651973200220 0.021911439147657 -0.014873990073913 -0.006040844548644 0.007150526714161
2 ( 2) 0.306722073636412 0.056947216252938 -0.029201586581957 -0.018019033472023 0.034707521922989 -0.009020247149982 0.002023979203335 -0.002640772798416
File 141 DPD File2: CME 1
Matrix for Irrep 1
----------------------------------------
0 1
( 8) ( 9)
File 141 DPD File2: CME 1
Matrix for Irrep 2
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 3) 0.096046427383239 -0.031546702993023 0.001062019871369
File 141 DPD File2: CME 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 4) -0.478304752696696 0.084896640048542 -0.140201461255932 -0.007119177652754 0.002110627315246 0.007252802061820
DPD File2: Cme 1
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 0
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 9
Irrep: 1 row = 0 col = 2
Irrep: 2 row = 0 col = 4
Irrep: 3 row = 1 col = 6
File 142 DPD File2: Cme 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 0) 0.000328521482335 0.000241359030443 0.000348470104931 0.000614694334751 0.000127943992772 -0.000411320864449 0.000239871514199 0.000138332510958 0.000387351166709
1 ( 1) -0.562229017253207 0.086429560818370 -0.059281669380180 -0.035901153223391 0.051842032025766 -0.021987621879326 0.011655638740616 0.008851079779101 0.003526421083524
File 142 DPD File2: Cme 1
Matrix for Irrep 1
----------------------------------------
0 1
( 9) ( 10)
File 142 DPD File2: Cme 1
Matrix for Irrep 2
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
File 142 DPD File2: Cme 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
0 ( 2) -0.519699025910612 0.063926683932327 -0.139458028601132 0.001988831130153 -0.001603908910296 -0.005135675381712
resetting norm
Iter=1 L=2 resetting norm
SigmaSS, D(norm sigma)= 0.4350097723
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0726865950
WabejDS, D(norm sigma)= 0.0162647707
WnmjeDS, D(norm sigma)= 0.0000530015
WbmfeDS, D(norm sigma)= 0.0007449910
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4934923244
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0659374622
WabejDS, D(norm sigma)= 0.0159333095
WnmjeDS, D(norm sigma)= 0.0012491923
WbmfeDS, D(norm sigma)= 0.0014529378
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
The G Matrix
0 1
0 0.435009772258182 0.000050040794592
1 0.000000000000000 0.493492321893434
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.2934938551161
Norm of residual vector 0 after precondition 0.2934938551161
1 0.4350097723 4.35e-01 2.93e-01 N
Norm of residual vector af preconditioning 0.1447343349761
Norm of residual vector 1 before precondition 0.3010080247722
Norm of residual vector 1 after precondition 0.3010080247722
2 0.4934923219 4.93e-01 3.01e-01 N
Norm of residual vector af preconditioning 0.1294749737860
Iter=2 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.0000060129
FSD , D(norm sigma)= 0.0009268945
WamefSD, D(norm sigma)= 0.1174263864
WmnieSD, D(norm sigma)= 0.1967329517
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= -0.0000000000
Fbe_FDD , D(norm sigma)= 0.9468205493
Fmj_DD, D(norm sigma)= 1.1902353552
WmnijDD, D(norm sigma)= 0.4470513092
WabefDD, D(norm sigma)= 0.3545683145
WmbejDD, D(norm sigma)= -1.3462570906
WmnefDD XAF, D(norm sigma)= 0.0068189049
WmnefDD XLI, D(norm sigma)= 0.0006089759
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000074143
FSD , D(norm sigma)= 0.0012996874
WamefSD, D(norm sigma)= 0.2266495648
WmnieSD, D(norm sigma)= 0.1096834110
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= -0.0000000000
Fbe_FDD , D(norm sigma)= 1.2931032038
Fmj_DD, D(norm sigma)= 1.2952889601
WmnijDD, D(norm sigma)= 0.4732539917
WabefDD, D(norm sigma)= 0.4377325479
WmbejDD, D(norm sigma)= -1.5656920356
WmnefDD XAF, D(norm sigma)= 0.0076460690
WmnefDD XLI, D(norm sigma)= 0.0028378748
resetting norm
The G Matrix
0 1 2 3
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0767175892928
Norm of residual vector 0 after precondition 0.0767175892928
1 0.3738719256 -6.11e-02 7.67e-02 N
Norm of residual vector af preconditioning 0.0378390330936
Norm of residual vector 1 before precondition 0.0673320586608
Norm of residual vector 1 after precondition 0.0673320586608
2 0.4424786267 -5.10e-02 6.73e-02 N
Norm of residual vector af preconditioning 0.0433989297230
Iter=3 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.5320370295
FSD , D(norm sigma)= -0.0004239049
WamefSD, D(norm sigma)= -0.0051958480
WmnieSD, D(norm sigma)= -0.0028686209
WmaijDS, D(norm sigma)= 0.0202055262
WabejDS, D(norm sigma)= 0.0055273598
WnmjeDS, D(norm sigma)= 0.0001824984
WbmfeDS, D(norm sigma)= 0.0001091461
Fbe_FDD , D(norm sigma)= 0.7595838739
Fmj_DD, D(norm sigma)= 1.0622594459
WmnijDD, D(norm sigma)= 0.3563523046
WabefDD, D(norm sigma)= 0.2871492228
WmbejDD, D(norm sigma)= -1.2056457163
WmnefDD XAF, D(norm sigma)= 0.0016755736
WmnefDD XLI, D(norm sigma)= 0.0001162187
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6656896042
FSD , D(norm sigma)= 0.0000496200
WamefSD, D(norm sigma)= 0.0158508610
WmnieSD, D(norm sigma)= -0.0033208655
WmaijDS, D(norm sigma)= 0.0401062377
WabejDS, D(norm sigma)= 0.0376486981
WnmjeDS, D(norm sigma)= 0.0005896315
WbmfeDS, D(norm sigma)= 0.0004876220
Fbe_FDD , D(norm sigma)= 0.4371571390
Fmj_DD, D(norm sigma)= 0.6689251322
WmnijDD, D(norm sigma)= 0.2202933122
WabefDD, D(norm sigma)= 0.1956555646
WmbejDD, D(norm sigma)= -0.7313672968
WmnefDD XAF, D(norm sigma)= 0.0012218390
WmnefDD XLI, D(norm sigma)= 0.0003025892
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
5
0 0.002399576022160
1 0.026359912231614
2 0.025611251733058
3 0.428938861647665
4 0.086900512694558
5 1.018646881351163
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0463917864778
Norm of residual vector 0 after precondition 0.0463917864778
1 0.3685281592 -5.34e-03 4.64e-02 N
Norm of residual vector af preconditioning 0.0184121238193
Norm of residual vector 1 before precondition 0.0577095327258
Norm of residual vector 1 after precondition 0.0577095327258
2 0.4372888010 -5.19e-03 5.77e-02 N
Norm of residual vector af preconditioning 0.0286726927589
Iter=4 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.7223367163
FSD , D(norm sigma)= -0.0002975270
WamefSD, D(norm sigma)= 0.0104989823
WmnieSD, D(norm sigma)= 0.0449578362
WmaijDS, D(norm sigma)= 0.0097638553
WabejDS, D(norm sigma)= 0.0018287233
WnmjeDS, D(norm sigma)= 0.0000901131
WbmfeDS, D(norm sigma)= -0.0004699017
Fbe_FDD , D(norm sigma)= 1.0564539965
Fmj_DD, D(norm sigma)= 1.4135740530
WmnijDD, D(norm sigma)= 0.4020402213
WabefDD, D(norm sigma)= 0.3522096498
WmbejDD, D(norm sigma)= -1.1913417439
WmnefDD XAF, D(norm sigma)= 0.0012137992
WmnefDD XLI, D(norm sigma)= 0.0002092694
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8411033626
FSD , D(norm sigma)= 0.0000032423
WamefSD, D(norm sigma)= 0.0214561253
WmnieSD, D(norm sigma)= 0.0271747459
WmaijDS, D(norm sigma)= 0.0226680717
WabejDS, D(norm sigma)= 0.0055687077
WnmjeDS, D(norm sigma)= 0.0001656822
WbmfeDS, D(norm sigma)= -0.0003944820
Fbe_FDD , D(norm sigma)= 0.8151953530
Fmj_DD, D(norm sigma)= 1.1881476525
WmnijDD, D(norm sigma)= 0.3307546921
WabefDD, D(norm sigma)= 0.3030649187
WmbejDD, D(norm sigma)= -0.9601328150
WmnefDD XAF, D(norm sigma)= 0.0018090907
WmnefDD XLI, D(norm sigma)= 0.0002681753
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
5 6 7
0 0.002399576022160 0.012675732808726 0.000604532662067
1 0.026359912231614 0.009799013224544 -0.019812525201017
2 0.025611251733058 0.157871080215161 0.005071380172626
3 0.428938861647665 0.075500320526520 -0.229731981364776
4 0.086900512694558 -0.758255441163704 -0.062418703381898
5 1.018646881351163 0.022255980893936 -0.704466787429034
6 0.017994866557186 1.986303789602302 0.043672780549225
7 -0.695368899708971 0.040531487710967 1.808138107506025
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0252171687120
Norm of residual vector 0 after precondition 0.0252171687120
1 0.3670630696 -1.47e-03 2.52e-02 N
Norm of residual vector af preconditioning 0.0104850416793
Norm of residual vector 1 before precondition 0.0486579879407
Norm of residual vector 1 after precondition 0.0486579879407
2 0.4332429245 -4.05e-03 4.87e-02 N
Norm of residual vector af preconditioning 0.0248347146019
Iter=5 L=10 resetting norm
SigmaSS, D(norm sigma)= 0.8376847456
FSD , D(norm sigma)= -0.0001399283
WamefSD, D(norm sigma)= 0.0353750789
WmnieSD, D(norm sigma)= 0.0539609992
WmaijDS, D(norm sigma)= 0.0105671587
WabejDS, D(norm sigma)= 0.0077789837
WnmjeDS, D(norm sigma)= 0.0000936740
WbmfeDS, D(norm sigma)= -0.0000938186
Fbe_FDD , D(norm sigma)= 0.8516637553
Fmj_DD, D(norm sigma)= 1.4869288903
WmnijDD, D(norm sigma)= 0.4252935851
WabefDD, D(norm sigma)= 0.3241557574
WmbejDD, D(norm sigma)= -1.0532868384
WmnefDD XAF, D(norm sigma)= 0.0013232777
WmnefDD XLI, D(norm sigma)= 0.0004569332
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7960344419
FSD , D(norm sigma)= 0.0000515171
WamefSD, D(norm sigma)= 0.0307582582
WmnieSD, D(norm sigma)= 0.0552305493
WmaijDS, D(norm sigma)= 0.0153479336
WabejDS, D(norm sigma)= 0.0062502305
WnmjeDS, D(norm sigma)= -0.0000336803
WbmfeDS, D(norm sigma)= 0.0001120539
Fbe_FDD , D(norm sigma)= 0.9012659213
Fmj_DD, D(norm sigma)= 1.3599501743
WmnijDD, D(norm sigma)= 0.4114978033
WabefDD, D(norm sigma)= 0.3137404504
WmbejDD, D(norm sigma)= -1.0579538518
WmnefDD XAF, D(norm sigma)= 0.0025603231
WmnefDD XLI, D(norm sigma)= 0.0004629842
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0156711902800
Norm of residual vector 0 after precondition 0.0156711902800
1 0.3666073489 -4.56e-04 1.57e-02 N
Norm of residual vector af preconditioning 0.0067976698224
Norm of residual vector 1 before precondition 0.0278259197215
Norm of residual vector 1 after precondition 0.0278259197215
2 0.4313400579 -1.90e-03 2.78e-02 N
Norm of residual vector af preconditioning 0.0129161117671
Iter=6 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.8126022426
FSD , D(norm sigma)= -0.0000783627
WamefSD, D(norm sigma)= 0.0272666430
WmnieSD, D(norm sigma)= 0.0665738745
WmaijDS, D(norm sigma)= 0.0096695538
WabejDS, D(norm sigma)= 0.0058618261
WnmjeDS, D(norm sigma)= 0.0000204301
WbmfeDS, D(norm sigma)= 0.0000582965
Fbe_FDD , D(norm sigma)= 0.6576428796
Fmj_DD, D(norm sigma)= 1.5340656763
WmnijDD, D(norm sigma)= 0.4495069294
WabefDD, D(norm sigma)= 0.2968863206
WmbejDD, D(norm sigma)= -0.9843240085
WmnefDD XAF, D(norm sigma)= 0.0008690259
WmnefDD XLI, D(norm sigma)= 0.0005152487
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.9157708046
FSD , D(norm sigma)= 0.0000632976
WamefSD, D(norm sigma)= 0.0023657886
WmnieSD, D(norm sigma)= 0.0192096928
WmaijDS, D(norm sigma)= 0.0172237838
WabejDS, D(norm sigma)= 0.0065607666
WnmjeDS, D(norm sigma)= 0.0002809750
WbmfeDS, D(norm sigma)= -0.0002721885
Fbe_FDD , D(norm sigma)= 0.7330961180
Fmj_DD, D(norm sigma)= 1.2971585468
WmnijDD, D(norm sigma)= 0.3997664403
WabefDD, D(norm sigma)= 0.2851213462
WmbejDD, D(norm sigma)= -0.9164303504
WmnefDD XAF, D(norm sigma)= 0.0015026365
WmnefDD XLI, D(norm sigma)= 0.0002010062
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
10 11
0 0.000841731842627 -0.012713816990589
1 0.003825923229282 -0.005732327118973
2 0.005785083093574 -0.078467973273380
3 0.015926380914813 -0.097042055994489
4 -0.004334260918832 0.073698022562946
5 -0.026456821120900 -0.167564176902055
6 0.180029765696741 -0.145575859933411
7 0.020153738320433 0.173006513278023
8 -0.873894882429272 0.153185326640324
9 0.047726780391318 0.610167763326334
10 1.638379360752724 -0.134132614217179
11 -0.134453418722139 1.812138815629545
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0141049370189
Norm of residual vector 0 after precondition 0.0141049370189
1 0.3664110915 -1.96e-04 1.41e-02 N
Norm of residual vector af preconditioning 0.0046368634094
Norm of residual vector 1 before precondition 0.0314346012129
Norm of residual vector 1 after precondition 0.0314346012129
2 0.4304721655 -8.68e-04 3.14e-02 N
Norm of residual vector af preconditioning 0.0105852335424
Iter=7 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.9261040378
FSD , D(norm sigma)= -0.0001275626
WamefSD, D(norm sigma)= 0.0147731600
WmnieSD, D(norm sigma)= 0.0819954921
WmaijDS, D(norm sigma)= 0.0072102397
WabejDS, D(norm sigma)= 0.0037065417
WnmjeDS, D(norm sigma)= -0.0000053489
WbmfeDS, D(norm sigma)= 0.0000396306
Fbe_FDD , D(norm sigma)= 0.9120359977
Fmj_DD, D(norm sigma)= 2.1438866867
WmnijDD, D(norm sigma)= 0.5543424243
WabefDD, D(norm sigma)= 0.2985955446
WmbejDD, D(norm sigma)= -1.0264383798
WmnefDD XAF, D(norm sigma)= 0.0009796385
WmnefDD XLI, D(norm sigma)= 0.0001320030
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.9293925526
FSD , D(norm sigma)= -0.0000446728
WamefSD, D(norm sigma)= 0.0378008245
WmnieSD, D(norm sigma)= 0.0457493415
WmaijDS, D(norm sigma)= 0.0139828713
WabejDS, D(norm sigma)= 0.0110910221
WnmjeDS, D(norm sigma)= 0.0001590826
WbmfeDS, D(norm sigma)= -0.0000986015
Fbe_FDD , D(norm sigma)= 1.0198925475
Fmj_DD, D(norm sigma)= 1.7960773744
WmnijDD, D(norm sigma)= 0.4899029580
WabefDD, D(norm sigma)= 0.3335678563
WmbejDD, D(norm sigma)= -0.9565222961
WmnefDD XAF, D(norm sigma)= 0.0011678500
WmnefDD XLI, D(norm sigma)= 0.0000682651
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
10 11 12 13
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0071901324236
Norm of residual vector 0 after precondition 0.0071901324236
1 0.3663153665 -9.57e-05 7.19e-03 N
Norm of residual vector af preconditioning 0.0022557828695
Norm of residual vector 1 before precondition 0.0221015559930
Norm of residual vector 1 after precondition 0.0221015559930
2 0.4297289587 -7.43e-04 2.21e-02 N
Norm of residual vector af preconditioning 0.0075132112938
Iter=8 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.8311998249
FSD , D(norm sigma)= -0.0001225903
WamefSD, D(norm sigma)= 0.0219580444
WmnieSD, D(norm sigma)= 0.0792159306
WmaijDS, D(norm sigma)= 0.0065549468
WabejDS, D(norm sigma)= 0.0040659326
WnmjeDS, D(norm sigma)= 0.0000520757
WbmfeDS, D(norm sigma)= -0.0000194073
Fbe_FDD , D(norm sigma)= 0.8478567625
Fmj_DD, D(norm sigma)= 2.6138400699
WmnijDD, D(norm sigma)= 0.6185753404
WabefDD, D(norm sigma)= 0.2739118074
WmbejDD, D(norm sigma)= -0.9750242391
WmnefDD XAF, D(norm sigma)= 0.0007436905
WmnefDD XLI, D(norm sigma)= 0.0002431913
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6637431620
FSD , D(norm sigma)= 0.0000881959
WamefSD, D(norm sigma)= 0.0462246334
WmnieSD, D(norm sigma)= 0.0248273088
WmaijDS, D(norm sigma)= 0.0129840066
WabejDS, D(norm sigma)= 0.0041648565
WnmjeDS, D(norm sigma)= 0.0001581982
WbmfeDS, D(norm sigma)= -0.0006685851
Fbe_FDD , D(norm sigma)= 1.1154007222
Fmj_DD, D(norm sigma)= 1.7231702170
WmnijDD, D(norm sigma)= 0.5059371750
WabefDD, D(norm sigma)= 0.3924593414
WmbejDD, D(norm sigma)= -0.9841850218
WmnefDD XAF, D(norm sigma)= 0.0012035437
WmnefDD XLI, D(norm sigma)= 0.0002611925
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
14 -0.012035660468935 0.001861445059058 -0.079623849107482 -0.028109130853865 0.053885732189635
15 -0.001581954470595 -0.000078472744410 -0.023792947377009 -0.019541497703603 0.020571156030051
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
14 -0.048501956174358 -0.012815530861766 0.093146565071932 0.022290877075866 -0.100986090834410
15 -0.029398309283114 0.006324350868148 0.053061097172350 -0.027109637241685 -0.055386159051046
10 11 12 13 14
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675 -0.013576670977133
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282 0.004497221637221
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327 -0.080779375223515
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728 -0.029840764335367
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102 0.054284008364127
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625 -0.049242190278269
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537 -0.014993230384611
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719 0.093006408087949
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050 0.021373728973801
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681 -0.102976937420812
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342 -0.239058588081675
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852 -0.099516940726038
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491 1.087398436750638
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746 -0.078017002991943
14 -0.240037948924243 -0.099500126721867 1.087897680139066 -0.077051921260854 2.384922264430310
15 0.075235501768744 -0.230851374532380 -0.083763028205229 -0.987859705106777 -0.220063493091085
15
0 -0.000272906117289
1 0.001258297268183
2 -0.023507898874606
3 -0.020339303708576
4 0.019755164786116
5 -0.023018065204018
6 0.005279196751694
7 0.054370758463359
8 -0.029673665669288
9 -0.054895364259489
10 0.074544955139400
11 -0.230126145990581
12 -0.085361797810953
13 -0.990985765928893
14 -0.218111934302380
15 2.316777918800647
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0030336642710
Norm of residual vector 0 after precondition 0.0030336642710
1 0.3662955461 -1.98e-05 3.03e-03 N
Norm of residual vector af preconditioning 0.0009500805656
Norm of residual vector 1 before precondition 0.0117796525480
Norm of residual vector 1 after precondition 0.0117796525480
2 0.4295253123 -2.04e-04 1.18e-02 N
Norm of residual vector af preconditioning 0.0039775622707
Iter=9 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.9744118683
FSD , D(norm sigma)= -0.0001352458
WamefSD, D(norm sigma)= 0.0179490568
WmnieSD, D(norm sigma)= 0.0781506628
WmaijDS, D(norm sigma)= 0.0057282888
WabejDS, D(norm sigma)= 0.0017669617
WnmjeDS, D(norm sigma)= 0.0000327619
WbmfeDS, D(norm sigma)= 0.0001054424
Fbe_FDD , D(norm sigma)= 0.7822870988
Fmj_DD, D(norm sigma)= 2.9857706221
WmnijDD, D(norm sigma)= 0.6769547028
WabefDD, D(norm sigma)= 0.2509727925
WmbejDD, D(norm sigma)= -0.9220254456
WmnefDD XAF, D(norm sigma)= 0.0005601321
WmnefDD XLI, D(norm sigma)= 0.0002497887
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6904738852
FSD , D(norm sigma)= 0.0000026331
WamefSD, D(norm sigma)= 0.0124349217
WmnieSD, D(norm sigma)= 0.0254647069
WmaijDS, D(norm sigma)= 0.0130755667
WabejDS, D(norm sigma)= 0.0022184238
WnmjeDS, D(norm sigma)= 0.0001898710
WbmfeDS, D(norm sigma)= -0.0003134834
Fbe_FDD , D(norm sigma)= 1.2297405294
Fmj_DD, D(norm sigma)= 1.4811696257
WmnijDD, D(norm sigma)= 0.4743244546
WabefDD, D(norm sigma)= 0.4226587562
WmbejDD, D(norm sigma)= -1.0295374313
WmnefDD XAF, D(norm sigma)= 0.0010824162
WmnefDD XLI, D(norm sigma)= 0.0003263112
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
14 -0.012035660468935 0.001861445059058 -0.079623849107482 -0.028109130853865 0.053885732189635
15 -0.001581954470595 -0.000078472744410 -0.023792947377009 -0.019541497703603 0.020571156030051
16 -0.003628413987857 -0.001396143718393 -0.025284133700020 -0.008359038535672 0.012437550918175
17 -0.013522198045570 0.007026341137678 -0.070234262886958 -0.008966004549030 0.046818400141945
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
14 -0.048501956174358 -0.012815530861766 0.093146565071932 0.022290877075866 -0.100986090834410
15 -0.029398309283114 0.006324350868148 0.053061097172350 -0.027109637241685 -0.055386159051046
16 0.032197912809432 0.047738503500238 -0.069370205685450 -0.112745821519629 0.011477625768037
17 -0.054048478818610 -0.071196805204416 0.119185250685088 -0.004023255440813 -0.146997609421351
10 11 12 13 14
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675 -0.013576670977133
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282 0.004497221637221
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327 -0.080779375223515
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728 -0.029840764335367
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102 0.054284008364127
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625 -0.049242190278269
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537 -0.014993230384611
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719 0.093006408087949
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050 0.021373728973801
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681 -0.102976937420812
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342 -0.239058588081675
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852 -0.099516940726038
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491 1.087398436750638
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746 -0.078017002991943
14 -0.240037948924243 -0.099500126721867 1.087897680139066 -0.077051921260854 2.384922264430310
15 0.075235501768744 -0.230851374532380 -0.083763028205229 -0.987859705106777 -0.220063493091085
16 0.150615040291120 -0.063957814102255 -0.386808875766327 0.067261342229571 -1.264123092029912
17 0.038157629849547 -0.003187877634558 -0.090972378463995 -0.185964404012137 -0.111540419862645
15 16 17
0 -0.000272906117289 -0.005342665916195 -0.012973483783964
1 0.001258297268183 -0.001678887321123 0.009067467318827
2 -0.023507898874606 -0.024649165047527 -0.070304761945640
3 -0.020339303708576 -0.009396018670320 -0.007885956918986
4 0.019755164786116 0.015514580072724 0.047199688860963
5 -0.023018065204018 0.030834055133210 -0.049148489405671
6 0.005279196751694 0.048779397731918 -0.072342197213579
7 0.054370758463359 -0.067032007737724 0.122304817096297
8 -0.029673665669288 -0.112218555068326 -0.002788236963488
9 -0.054895364259489 0.011155856149581 -0.145235844000988
10 0.074544955139400 0.148262151886897 0.037415184457384
11 -0.230126145990581 -0.064579290893428 -0.000296681489764
12 -0.085361797810953 -0.388523251543951 -0.091727883345802
13 -0.990985765928893 0.068485233965959 -0.186788177326093
14 -0.218111934302380 -1.263164821902817 -0.112093965499932
15 2.316777918800647 -0.038060071750924 1.085473499685361
16 -0.037259445716006 2.549554127428532 0.085431168344753
17 1.084365908084159 0.085802133021881 2.361041811872949
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0014262563497
Norm of residual vector 0 after precondition 0.0014262563497
1 0.3662893096 -6.24e-06 1.43e-03 N
Norm of residual vector af preconditioning 0.0004408412443
Norm of residual vector 1 before precondition 0.0065967885500
Norm of residual vector 1 after precondition 0.0065967885500
2 0.4294705588 -5.48e-05 6.60e-03 N
Norm of residual vector af preconditioning 0.0021779398878
Iter=10 L=20 resetting norm
SigmaSS, D(norm sigma)= 1.0201228672
FSD , D(norm sigma)= -0.0000958005
WamefSD, D(norm sigma)= 0.0125044399
WmnieSD, D(norm sigma)= 0.0736097999
WmaijDS, D(norm sigma)= 0.0066049640
WabejDS, D(norm sigma)= 0.0040183188
WnmjeDS, D(norm sigma)= 0.0000767627
WbmfeDS, D(norm sigma)= -0.0002304113
Fbe_FDD , D(norm sigma)= 0.7957865065
Fmj_DD, D(norm sigma)= 3.3504426680
WmnijDD, D(norm sigma)= 0.7487092282
WabefDD, D(norm sigma)= 0.2430305363
WmbejDD, D(norm sigma)= -0.9045052962
WmnefDD XAF, D(norm sigma)= 0.0007840178
WmnefDD XLI, D(norm sigma)= 0.0001902552
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7061738852
FSD , D(norm sigma)= -0.0000543746
WamefSD, D(norm sigma)= 0.0186019439
WmnieSD, D(norm sigma)= 0.0081743663
WmaijDS, D(norm sigma)= 0.0235666804
WabejDS, D(norm sigma)= 0.0128479891
WnmjeDS, D(norm sigma)= 0.0001248832
WbmfeDS, D(norm sigma)= -0.0005665660
Fbe_FDD , D(norm sigma)= 0.9853085774
Fmj_DD, D(norm sigma)= 1.2674507308
WmnijDD, D(norm sigma)= 0.3554270569
WabefDD, D(norm sigma)= 0.3089691255
WmbejDD, D(norm sigma)= -0.9307002789
WmnefDD XAF, D(norm sigma)= 0.0012896548
WmnefDD XLI, D(norm sigma)= 0.0002833876
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
14 -0.012035660468935 0.001861445059058 -0.079623849107482 -0.028109130853865 0.053885732189635
15 -0.001581954470595 -0.000078472744410 -0.023792947377009 -0.019541497703603 0.020571156030051
16 -0.003628413987857 -0.001396143718393 -0.025284133700020 -0.008359038535672 0.012437550918175
17 -0.013522198045570 0.007026341137678 -0.070234262886958 -0.008966004549030 0.046818400141945
18 0.002061749272507 -0.011999260038290 -0.009043542104929 -0.090868828822127 0.054586574493181
19 -0.008891827199019 0.003591844866797 -0.072540011110476 -0.014981756129878 0.075706561403686
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
14 -0.048501956174358 -0.012815530861766 0.093146565071932 0.022290877075866 -0.100986090834410
15 -0.029398309283114 0.006324350868148 0.053061097172350 -0.027109637241685 -0.055386159051046
16 0.032197912809432 0.047738503500238 -0.069370205685450 -0.112745821519629 0.011477625768037
17 -0.054048478818610 -0.071196805204416 0.119185250685088 -0.004023255440813 -0.146997609421351
18 -0.091036833957551 -0.156186600464096 0.167023447831274 0.249789440562069 -0.075496000352058
19 -0.054392560204147 -0.045939583726687 0.111723809388439 -0.004744525010834 -0.098821616702990
10 11 12 13 14
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675 -0.013576670977133
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282 0.004497221637221
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327 -0.080779375223515
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728 -0.029840764335367
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102 0.054284008364127
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625 -0.049242190278269
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537 -0.014993230384611
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719 0.093006408087949
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050 0.021373728973801
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681 -0.102976937420812
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342 -0.239058588081675
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852 -0.099516940726038
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491 1.087398436750638
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746 -0.078017002991943
14 -0.240037948924243 -0.099500126721867 1.087897680139066 -0.077051921260854 2.384922264430310
15 0.075235501768744 -0.230851374532380 -0.083763028205229 -0.987859705106777 -0.220063493091085
16 0.150615040291120 -0.063957814102255 -0.386808875766327 0.067261342229571 -1.264123092029912
17 0.038157629849547 -0.003187877634558 -0.090972378463995 -0.185964404012137 -0.111540419862645
18 -0.258251862764873 0.117190404792094 0.220267548266996 0.089419644269655 0.467645522753790
19 0.040618002143801 -0.009895635381803 -0.118410795050671 0.237903884097654 -0.033894002823112
15 16 17 18 19
0 -0.000272906117289 -0.005342665916195 -0.012973483783964 0.002279938625569 -0.009776344517745
1 0.001258297268183 -0.001678887321123 0.009067467318827 -0.012188614469092 0.004364553764735
2 -0.023507898874606 -0.024649165047527 -0.070304761945640 -0.009786352469748 -0.072067504245704
3 -0.020339303708576 -0.009396018670320 -0.007885956918986 -0.090929878624585 -0.015400486559784
4 0.019755164786116 0.015514580072724 0.047199688860963 0.053534528598327 0.078368900395447
5 -0.023018065204018 0.030834055133210 -0.049148489405671 -0.092325565645844 -0.050642081681835
6 0.005279196751694 0.048779397731918 -0.072342197213579 -0.157392480557531 -0.046186706029816
7 0.054370758463359 -0.067032007737724 0.122304817096297 0.167201461202591 0.111371725882803
8 -0.029673665669288 -0.112218555068326 -0.002788236963488 0.250524358238858 -0.005998588582260
9 -0.054895364259489 0.011155856149581 -0.145235844000988 -0.075718842157315 -0.097594081231941
10 0.074544955139400 0.148262151886897 0.037415184457384 -0.258169304162736 0.038549362110495
11 -0.230126145990581 -0.064579290893428 -0.000296681489764 0.116930693907119 -0.009745947154440
12 -0.085361797810953 -0.388523251543951 -0.091727883345802 0.220948853450085 -0.121254410389078
13 -0.990985765928893 0.068485233965959 -0.186788177326093 0.090640839202398 0.239605012178182
14 -0.218111934302380 -1.263164821902817 -0.112093965499932 0.465883516157611 -0.033151677991284
15 2.316777918800647 -0.038060071750924 1.085473499685361 0.056408618549987 0.008465253748895
16 -0.037259445716006 2.549554127428532 0.085431168344753 -1.459703038653671 -0.080000839250415
17 1.084365908084159 0.085802133021881 2.361041811872949 0.015059839595633 0.913446597855694
18 0.057154011679656 -1.461173229590011 0.012875941034255 2.775642829789533 0.206718890750982
19 0.008683688095754 -0.080198254981093 0.915554616469022 0.206692038615624 1.857047860543816
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0007114788747
Norm of residual vector 0 after precondition 0.0007114788747
1 0.3662873890 -1.92e-06 7.11e-04 N
Norm of residual vector af preconditioning 0.0001990780852
Norm of residual vector 1 before precondition 0.0036946421061
Norm of residual vector 1 after precondition 0.0036946421061
2 0.4294590313 -1.15e-05 3.69e-03 N
Norm of residual vector af preconditioning 0.0011581838538
Iter=11 L=22 resetting norm
SigmaSS, D(norm sigma)= 0.8925150583
FSD , D(norm sigma)= -0.0001303597
WamefSD, D(norm sigma)= 0.0298914491
WmnieSD, D(norm sigma)= 0.0627578017
WmaijDS, D(norm sigma)= 0.0063674137
WabejDS, D(norm sigma)= 0.0028361074
WnmjeDS, D(norm sigma)= 0.0000586537
WbmfeDS, D(norm sigma)= -0.0001242090
Fbe_FDD , D(norm sigma)= 0.8687111537
Fmj_DD, D(norm sigma)= 3.7468514215
WmnijDD, D(norm sigma)= 0.8252208496
WabefDD, D(norm sigma)= 0.2559540416
WmbejDD, D(norm sigma)= -0.8761379230
WmnefDD XAF, D(norm sigma)= 0.0006953982
WmnefDD XLI, D(norm sigma)= 0.0001816802
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6123074240
FSD , D(norm sigma)= 0.0000460914
WamefSD, D(norm sigma)= 0.0317493424
WmnieSD, D(norm sigma)= 0.0161790276
WmaijDS, D(norm sigma)= 0.0145672010
WabejDS, D(norm sigma)= 0.0097660965
WnmjeDS, D(norm sigma)= 0.0001487170
WbmfeDS, D(norm sigma)= -0.0003010780
Fbe_FDD , D(norm sigma)= 1.1814904431
Fmj_DD, D(norm sigma)= 1.8573911241
WmnijDD, D(norm sigma)= 0.4575869340
WabefDD, D(norm sigma)= 0.3464337597
WmbejDD, D(norm sigma)= -1.0286577322
WmnefDD XAF, D(norm sigma)= 0.0011955110
WmnefDD XLI, D(norm sigma)= 0.0002560153
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
14 -0.012035660468935 0.001861445059058 -0.079623849107482 -0.028109130853865 0.053885732189635
15 -0.001581954470595 -0.000078472744410 -0.023792947377009 -0.019541497703603 0.020571156030051
16 -0.003628413987857 -0.001396143718393 -0.025284133700020 -0.008359038535672 0.012437550918175
17 -0.013522198045570 0.007026341137678 -0.070234262886958 -0.008966004549030 0.046818400141945
18 0.002061749272507 -0.011999260038290 -0.009043542104929 -0.090868828822127 0.054586574493181
19 -0.008891827199019 0.003591844866797 -0.072540011110476 -0.014981756129878 0.075706561403686
20 0.009537969092231 -0.005110357408824 0.058450154474744 -0.012888151225157 -0.038336319769405
21 0.002159063834511 -0.006380018022342 0.027005302707721 -0.041831279950079 -0.041906651213826
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
14 -0.048501956174358 -0.012815530861766 0.093146565071932 0.022290877075866 -0.100986090834410
15 -0.029398309283114 0.006324350868148 0.053061097172350 -0.027109637241685 -0.055386159051046
16 0.032197912809432 0.047738503500238 -0.069370205685450 -0.112745821519629 0.011477625768037
17 -0.054048478818610 -0.071196805204416 0.119185250685088 -0.004023255440813 -0.146997609421351
18 -0.091036833957551 -0.156186600464096 0.167023447831274 0.249789440562069 -0.075496000352058
19 -0.054392560204147 -0.045939583726687 0.111723809388439 -0.004744525010834 -0.098821616702990
20 -0.042417150900073 -0.022531055865033 0.095632693533240 0.129237588040963 -0.054964457212118
21 -0.043881524305000 0.021297038860265 0.080929927009172 -0.040451321127814 -0.113402538245166
10 11 12 13 14
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675 -0.013576670977133
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282 0.004497221637221
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327 -0.080779375223515
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728 -0.029840764335367
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102 0.054284008364127
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625 -0.049242190278269
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537 -0.014993230384611
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719 0.093006408087949
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050 0.021373728973801
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681 -0.102976937420812
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342 -0.239058588081675
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852 -0.099516940726038
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491 1.087398436750638
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746 -0.078017002991943
14 -0.240037948924243 -0.099500126721867 1.087897680139066 -0.077051921260854 2.384922264430310
15 0.075235501768744 -0.230851374532380 -0.083763028205229 -0.987859705106777 -0.220063493091085
16 0.150615040291120 -0.063957814102255 -0.386808875766327 0.067261342229571 -1.264123092029912
17 0.038157629849547 -0.003187877634558 -0.090972378463995 -0.185964404012137 -0.111540419862645
18 -0.258251862764873 0.117190404792094 0.220267548266996 0.089419644269655 0.467645522753790
19 0.040618002143801 -0.009895635381803 -0.118410795050671 0.237903884097654 -0.033894002823112
20 -0.183079090061090 -0.016878057238295 0.252346669829218 -0.151681274013133 0.312293553508925
21 -0.027579619914980 -0.112134720901831 0.188474089746557 -0.090806227791748 0.236122821809708
15 16 17 18 19
0 -0.000272906117289 -0.005342665916195 -0.012973483783964 0.002279938625569 -0.009776344517745
1 0.001258297268183 -0.001678887321123 0.009067467318827 -0.012188614469092 0.004364553764735
2 -0.023507898874606 -0.024649165047527 -0.070304761945640 -0.009786352469748 -0.072067504245704
3 -0.020339303708576 -0.009396018670320 -0.007885956918986 -0.090929878624585 -0.015400486559784
4 0.019755164786116 0.015514580072724 0.047199688860963 0.053534528598327 0.078368900395447
5 -0.023018065204018 0.030834055133210 -0.049148489405671 -0.092325565645844 -0.050642081681835
6 0.005279196751694 0.048779397731918 -0.072342197213579 -0.157392480557531 -0.046186706029816
7 0.054370758463359 -0.067032007737724 0.122304817096297 0.167201461202591 0.111371725882803
8 -0.029673665669288 -0.112218555068326 -0.002788236963488 0.250524358238858 -0.005998588582260
9 -0.054895364259489 0.011155856149581 -0.145235844000988 -0.075718842157315 -0.097594081231941
10 0.074544955139400 0.148262151886897 0.037415184457384 -0.258169304162736 0.038549362110495
11 -0.230126145990581 -0.064579290893428 -0.000296681489764 0.116930693907119 -0.009745947154440
12 -0.085361797810953 -0.388523251543951 -0.091727883345802 0.220948853450085 -0.121254410389078
13 -0.990985765928893 0.068485233965959 -0.186788177326093 0.090640839202398 0.239605012178182
14 -0.218111934302380 -1.263164821902817 -0.112093965499932 0.465883516157611 -0.033151677991284
15 2.316777918800647 -0.038060071750924 1.085473499685361 0.056408618549987 0.008465253748895
16 -0.037259445716006 2.549554127428532 0.085431168344753 -1.459703038653671 -0.080000839250415
17 1.084365908084159 0.085802133021881 2.361041811872949 0.015059839595633 0.913446597855694
18 0.057154011679656 -1.461173229590011 0.012875941034255 2.775642829789533 0.206718890750982
19 0.008683688095754 -0.080198254981093 0.915554616469022 0.206692038615624 1.857047860543816
20 0.155781758081504 -0.578518538286056 0.203575343810103 1.516050070910127 0.150508467631354
21 -0.027554036797762 -0.202728984991598 0.225247053515909 0.216158266918912 0.946704453754504
20 21
0 0.011006501870832 0.001719275201045
1 -0.004603660523690 -0.006311515351918
2 0.060915370699390 0.026810670237357
3 -0.013484896820822 -0.041386637101201
4 -0.038931425411168 -0.041306685248399
5 -0.044690289419058 -0.045201356702762
6 -0.020684186074421 0.022924509416318
7 0.095375415903595 0.081133818533759
8 0.129825571875516 -0.038407820391866
9 -0.055022759162654 -0.114316326849559
10 -0.182411800537669 -0.027741811572785
11 -0.017245355549481 -0.110484954064487
12 0.252713481964589 0.189632726788510
13 -0.150627991566881 -0.092039574655290
14 0.311474384552630 0.237019616399008
15 0.153953961060028 -0.027021815395161
16 -0.579912476565273 -0.203385249101893
17 0.205519180382428 0.224326067838203
18 1.516819043768801 0.215612153084887
19 0.148789571271745 0.949837025816680
20 3.025277327227616 0.054370708839737
21 0.054982402326252 2.298101021335079
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0002888728863
Norm of residual vector 0 after precondition 0.0002888728863
1 0.3662872948 -9.42e-08 2.89e-04 N
Norm of residual vector af preconditioning 0.0000797911426
Norm of residual vector 1 before precondition 0.0016894489614
Norm of residual vector 1 after precondition 0.0016894489614
2 0.4294582136 -8.18e-07 1.69e-03 N
Norm of residual vector af preconditioning 0.0005063315860
Iter=12 L=24 resetting norm
SigmaSS, D(norm sigma)= 0.5883577425
FSD , D(norm sigma)= -0.0000633347
WamefSD, D(norm sigma)= 0.0099276806
WmnieSD, D(norm sigma)= 0.0405650998
WmaijDS, D(norm sigma)= 0.0076670920
WabejDS, D(norm sigma)= 0.0010907200
WnmjeDS, D(norm sigma)= 0.0000367860
WbmfeDS, D(norm sigma)= -0.0001143400
Fbe_FDD , D(norm sigma)= 1.1369344811
Fmj_DD, D(norm sigma)= 4.1045316252
WmnijDD, D(norm sigma)= 0.8845337350
WabefDD, D(norm sigma)= 0.2737095640
WmbejDD, D(norm sigma)= -0.8436231646
WmnefDD XAF, D(norm sigma)= 0.0005923786
WmnefDD XLI, D(norm sigma)= 0.0002943311
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8127805727
FSD , D(norm sigma)= -0.0000449677
WamefSD, D(norm sigma)= 0.0255974647
WmnieSD, D(norm sigma)= 0.0604253233
WmaijDS, D(norm sigma)= 0.0088008028
WabejDS, D(norm sigma)= 0.0010824747
WnmjeDS, D(norm sigma)= 0.0001628477
WbmfeDS, D(norm sigma)= -0.0000454550
Fbe_FDD , D(norm sigma)= 1.1081036514
Fmj_DD, D(norm sigma)= 3.2308037721
WmnijDD, D(norm sigma)= 0.6926660036
WabefDD, D(norm sigma)= 0.2732468751
WmbejDD, D(norm sigma)= -0.9626557027
WmnefDD XAF, D(norm sigma)= 0.0007412489
WmnefDD XLI, D(norm sigma)= 0.0003440232
resetting norm
The G Matrix
0 1 2 3 4
0 0.435009772258182 0.000050040794592 0.290045076524690 0.019707692507056 -0.033705121998543
1 0.000000000000000 0.493492321893434 -0.060900796854277 0.289248219456662 0.014712653738638
2 0.267324026107214 -0.053602440517307 1.691894444049640 0.106443195655597 -0.442702551034107
3 0.019959897818810 0.271300151916148 0.106692895701905 2.044083799843603 0.073207847267009
4 -0.029045675210680 0.013085889232207 -0.449034124333821 0.072037124607486 1.303895400406603
5 0.002510881182778 0.024499301517624 0.028320958992579 0.437228739164601 0.087747352346823
6 0.013133904168315 0.008067926877411 0.162175113452236 0.072277172632467 -0.755736998163876
7 0.001651821850943 -0.017488797803950 0.003034518381561 -0.233806472544721 -0.066636735965349
8 0.007810975779000 0.009209750645615 0.038231712720377 0.094929747267376 0.139770372558334
9 -0.007148083823486 -0.010012030732379 -0.058467449506970 -0.122322838920175 0.053593063142653
10 0.003307889336320 0.002582135042132 0.002994147721119 0.013209602057385 -0.001643670148313
11 -0.011189209252119 -0.004457891554140 -0.075365960304642 -0.098568439482208 0.071306515344230
12 -0.018262037838332 0.018740091255974 -0.112585718777324 0.109588691255546 0.112156638271094
13 -0.003126139939163 0.003123890776987 -0.010272274871801 0.017269403642866 -0.026690423347392
14 -0.012035660468935 0.001861445059058 -0.079623849107482 -0.028109130853865 0.053885732189635
15 -0.001581954470595 -0.000078472744410 -0.023792947377009 -0.019541497703603 0.020571156030051
16 -0.003628413987857 -0.001396143718393 -0.025284133700020 -0.008359038535672 0.012437550918175
17 -0.013522198045570 0.007026341137678 -0.070234262886958 -0.008966004549030 0.046818400141945
18 0.002061749272507 -0.011999260038290 -0.009043542104929 -0.090868828822127 0.054586574493181
19 -0.008891827199019 0.003591844866797 -0.072540011110476 -0.014981756129878 0.075706561403686
20 0.009537969092231 -0.005110357408824 0.058450154474744 -0.012888151225157 -0.038336319769405
21 0.002159063834511 -0.006380018022342 0.027005302707721 -0.041831279950079 -0.041906651213826
22 -0.003639483981078 0.001271077661880 -0.022914457665546 -0.003632434800424 0.020233781946000
23 -0.001280213409370 -0.004300678181901 -0.016556546225700 -0.014204114117598 0.041028258593037
5 6 7 8 9
0 0.002399576022160 0.012675732808726 0.000604532662067 0.011678368492961 -0.006022628003847
1 0.026359912231614 0.009799013224544 -0.019812525201017 0.010253971876006 -0.011322436235911
2 0.025611251733058 0.157871080215161 0.005071380172626 0.039527521584255 -0.057980420572940
3 0.428938861647665 0.075500320526520 -0.229731981364776 0.096864520010632 -0.121114466219187
4 0.086900512694558 -0.758255441163704 -0.062418703381898 0.141817153977388 0.050716892623330
5 1.018646881351163 0.022255980893936 -0.704466787429034 0.068213845617926 0.063820205087779
6 0.017994866557186 1.986303789602302 0.043672780549225 -0.870433467045469 -0.128484867556724
7 -0.695368899708971 0.040531487710967 1.808138107506025 -0.022682648700780 -0.700342341316815
8 0.064013273774372 -0.873495691178994 -0.021444918146930 1.873750920866757 0.118629838260190
9 0.053914144887196 -0.127296799836714 -0.703388211326343 0.123002056819675 2.030751183179815
10 -0.028691025439503 0.182010536183769 0.022102270162560 -0.874919589851104 0.045517856411527
11 -0.167042232211636 -0.143788966164772 0.168401525402283 0.151869581463650 0.613483691238337
12 0.108476500410986 -0.091104680509188 -0.160134208596626 0.246572633410940 0.054850217757172
13 0.003787295958856 0.079955902626169 0.038165706294239 -0.053110970509272 0.044191603415412
14 -0.048501956174358 -0.012815530861766 0.093146565071932 0.022290877075866 -0.100986090834410
15 -0.029398309283114 0.006324350868148 0.053061097172350 -0.027109637241685 -0.055386159051046
16 0.032197912809432 0.047738503500238 -0.069370205685450 -0.112745821519629 0.011477625768037
17 -0.054048478818610 -0.071196805204416 0.119185250685088 -0.004023255440813 -0.146997609421351
18 -0.091036833957551 -0.156186600464096 0.167023447831274 0.249789440562069 -0.075496000352058
19 -0.054392560204147 -0.045939583726687 0.111723809388439 -0.004744525010834 -0.098821616702990
20 -0.042417150900073 -0.022531055865033 0.095632693533240 0.129237588040963 -0.054964457212118
21 -0.043881524305000 0.021297038860265 0.080929927009172 -0.040451321127814 -0.113402538245166
22 -0.011219334703371 -0.014224176845579 -0.003121695331044 -0.029406938934404 0.073978502701611
23 0.012123170403320 -0.072628183288569 -0.057212529641982 0.111938693812272 0.173384597383021
10 11 12 13 14
0 0.000841731842627 -0.012713816990589 -0.019353453256707 -0.003669422092675 -0.013576670977133
1 0.003825923229282 -0.005732327118973 0.019197128771319 0.002338501783282 0.004497221637221
2 0.005785083093574 -0.078467973273380 -0.114884816516232 -0.009414879698327 -0.080779375223515
3 0.015926380914813 -0.097042055994489 0.111291428508634 0.020916591969728 -0.029840764335367
4 -0.004334260918832 0.073698022562946 0.113106515232718 -0.026801943804102 0.054284008364127
5 -0.026456821120900 -0.167564176902055 0.111363078472622 0.004559895721625 -0.049242190278269
6 0.180029765696741 -0.145575859933411 -0.092855488567278 0.081671126825537 -0.014993230384611
7 0.020153738320433 0.173006513278023 -0.160113733474890 0.039157468209719 0.093006408087949
8 -0.873894882429272 0.153185326640324 0.247229640796289 -0.054354001753050 0.021373728973801
9 0.047726780391318 0.610167763326334 0.055388684328819 0.047896973508681 -0.102976937420812
10 1.638379360752724 -0.134132614217179 -0.894563232594001 -0.031195969125342 -0.239058588081675
11 -0.134453418722139 1.812138815629545 -0.085141892490038 0.887533017710852 -0.099516940726038
12 -0.893992637405999 -0.086280397187531 2.355508529835298 -0.166697338177491 1.087398436750638
13 -0.030941920229502 0.888403998382848 -0.166284732399867 2.477827758770746 -0.078017002991943
14 -0.240037948924243 -0.099500126721867 1.087897680139066 -0.077051921260854 2.384922264430310
15 0.075235501768744 -0.230851374532380 -0.083763028205229 -0.987859705106777 -0.220063493091085
16 0.150615040291120 -0.063957814102255 -0.386808875766327 0.067261342229571 -1.264123092029912
17 0.038157629849547 -0.003187877634558 -0.090972378463995 -0.185964404012137 -0.111540419862645
18 -0.258251862764873 0.117190404792094 0.220267548266996 0.089419644269655 0.467645522753790
19 0.040618002143801 -0.009895635381803 -0.118410795050671 0.237903884097654 -0.033894002823112
20 -0.183079090061090 -0.016878057238295 0.252346669829218 -0.151681274013133 0.312293553508925
21 -0.027579619914980 -0.112134720901831 0.188474089746557 -0.090806227791748 0.236122821809708
22 0.092647035858811 0.148403641703031 -0.239970367142405 0.268986472060798 -0.280709335039919
23 -0.106795101617329 0.176653628389743 0.093127108186439 0.170126052172033 0.051937780736212
15 16 17 18 19
0 -0.000272906117289 -0.005342665916195 -0.012973483783964 0.002279938625569 -0.009776344517745
1 0.001258297268183 -0.001678887321123 0.009067467318827 -0.012188614469092 0.004364553764735
2 -0.023507898874606 -0.024649165047527 -0.070304761945640 -0.009786352469748 -0.072067504245704
3 -0.020339303708576 -0.009396018670320 -0.007885956918986 -0.090929878624585 -0.015400486559784
4 0.019755164786116 0.015514580072724 0.047199688860963 0.053534528598327 0.078368900395447
5 -0.023018065204018 0.030834055133210 -0.049148489405671 -0.092325565645844 -0.050642081681835
6 0.005279196751694 0.048779397731918 -0.072342197213579 -0.157392480557531 -0.046186706029816
7 0.054370758463359 -0.067032007737724 0.122304817096297 0.167201461202591 0.111371725882803
8 -0.029673665669288 -0.112218555068326 -0.002788236963488 0.250524358238858 -0.005998588582260
9 -0.054895364259489 0.011155856149581 -0.145235844000988 -0.075718842157315 -0.097594081231941
10 0.074544955139400 0.148262151886897 0.037415184457384 -0.258169304162736 0.038549362110495
11 -0.230126145990581 -0.064579290893428 -0.000296681489764 0.116930693907119 -0.009745947154440
12 -0.085361797810953 -0.388523251543951 -0.091727883345802 0.220948853450085 -0.121254410389078
13 -0.990985765928893 0.068485233965959 -0.186788177326093 0.090640839202398 0.239605012178182
14 -0.218111934302380 -1.263164821902817 -0.112093965499932 0.465883516157611 -0.033151677991284
15 2.316777918800647 -0.038060071750924 1.085473499685361 0.056408618549987 0.008465253748895
16 -0.037259445716006 2.549554127428532 0.085431168344753 -1.459703038653671 -0.080000839250415
17 1.084365908084159 0.085802133021881 2.361041811872949 0.015059839595633 0.913446597855694
18 0.057154011679656 -1.461173229590011 0.012875941034255 2.775642829789533 0.206718890750982
19 0.008683688095754 -0.080198254981093 0.915554616469022 0.206692038615624 1.857047860543816
20 0.155781758081504 -0.578518538286056 0.203575343810103 1.516050070910127 0.150508467631354
21 -0.027554036797762 -0.202728984991598 0.225247053515909 0.216158266918912 0.946704453754504
22 -0.169315481484580 0.358948963444941 -0.057766958465750 -0.646280234205663 0.034962001802763
23 -0.197750476398299 0.030383770078112 -0.150677259714915 -0.177715888101048 0.149157285318695
20 21 22 23
0 0.011006501870832 0.001719275201045 -0.002541358098368 -0.001057228245790
1 -0.004603660523690 -0.006311515351918 0.001549317293683 -0.005750649918182
2 0.060915370699390 0.026810670237357 -0.023238350148726 -0.017725238433182
3 -0.013484896820822 -0.041386637101201 -0.004054595046013 -0.013150939171700
4 -0.038931425411168 -0.041306685248399 0.018730947791167 0.040827198350261
5 -0.044690289419058 -0.045201356702762 -0.010685252126028 0.010347239028481
6 -0.020684186074421 0.022924509416318 -0.016073236177181 -0.072673013915095
7 0.095375415903595 0.081133818533759 -0.002816181516695 -0.060086364672642
8 0.129825571875516 -0.038407820391866 -0.029295285093331 0.113300388970791
9 -0.055022759162654 -0.114316326849559 0.073725684205884 0.172648608145880
10 -0.182411800537669 -0.027741811572785 0.093683242817938 -0.106935472182619
11 -0.017245355549481 -0.110484954064487 0.147785227598741 0.181022419945680
12 0.252713481964589 0.189632726788510 -0.239228449577082 0.091458360807141
13 -0.150627991566881 -0.092039574655290 0.269654311945519 0.170937710205960
14 0.311474384552630 0.237019616399008 -0.280766739895116 0.050803086322573
15 0.153953961060028 -0.027021815395161 -0.169311122687392 -0.199115766751761
16 -0.579912476565273 -0.203385249101893 0.359743753697073 0.030894251268270
17 0.205519180382428 0.224326067838203 -0.057203098205894 -0.150866518183203
18 1.516819043768801 0.215612153084887 -0.644796542374253 -0.178858248793973
19 0.148789571271745 0.949837025816680 0.034654707198805 0.150409950514587
20 3.025277327227616 0.054370708839737 -1.720618928348210 -0.412717074114879
21 0.054982402326252 2.298101021335079 0.128698846191429 1.110868623591933
22 -1.719279363636282 0.130238450196184 3.201459995242317 0.575302619687362
23 -0.414465644135395 1.111494301862664 0.576057785084268 2.969512569778768
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0001093457736
Norm of residual vector 0 after precondition 0.0001093457736
1 0.3662870782 -2.17e-07 1.09e-04 N
Norm of residual vector af preconditioning 0.0000297251558
Norm of residual vector 1 before precondition 0.0007147066617
Norm of residual vector 1 after precondition 0.0007147066617
2 0.4294566447 -1.57e-06 7.15e-04 N
Norm of residual vector af preconditioning 0.0002143880664
alpha
1 2 3 4 5 6 7 8 9 10
1 -0.9378587 -0.1307047 -0.2086843 -0.0088949 -0.0368587 0.0605374 0.1123541 0.0612818 0.0506880 0.0631529
2 0.1848788 -0.8461729 -0.4161807 0.2410769 -0.0757430 -0.0317043 -0.0174844 -0.0840448 0.0186316 -0.0438559
3 0.2365975 -0.0055096 -0.0281963 -0.0009370 -0.0215903 0.0761691 0.1275851 0.1156634 0.1254070 0.1958503
4 -0.0427518 0.1863816 0.0951047 0.0941698 -0.0616362 -0.0062547 0.0087188 -0.1020402 0.0694600 -0.0646050
5 0.1361224 0.0731955 -0.2488788 -0.1844216 -0.2099863 0.2271897 0.5004303 0.3269295 0.1396767 0.2234027
6 -0.0273183 -0.3647836 0.3748100 -0.4935254 0.2760599 0.1290718 -0.1033209 0.2720950 -0.1921182 0.0883677
7 0.0714807 0.0952064 -0.3102425 -0.2161649 -0.0182075 0.2485776 0.2633629 0.1663985 0.0229717 -0.1032507
8 -0.0159166 -0.2102400 0.2810681 -0.4080909 0.0822563 0.0249785 0.1135454 -0.0814632 0.1489126 -0.0503050
9 0.0480115 0.1167266 -0.3845466 -0.2784228 0.1546650 0.1497722 0.0195570 -0.1529306 -0.1954605 -0.2661127
10 -0.0093892 -0.0994013 0.1924372 -0.1880514 -0.0977425 0.0443237 0.2163138 -0.2681669 0.1979007 -0.1591147
11 0.0340503 0.1067801 -0.3739417 -0.2862277 0.3214765 0.0120648 -0.2779557 -0.2552408 -0.0671780 -0.0486773
12 0.0041486 0.0454296 -0.0996518 0.1346036 0.1633829 0.0711300 -0.3124006 0.4824797 -0.2207193 0.1931053
13 0.0136702 0.0495234 -0.1874922 -0.1792817 0.1983646 -0.2045458 -0.1884416 -0.1412602 0.2167978 0.2643292
14 0.0001741 -0.0108265 0.0221109 -0.0737802 -0.0734005 -0.0896981 0.2440964 -0.4121287 -0.1507745 0.1510246
15 -0.0056344 -0.0249589 0.1161435 0.1988262 0.0536681 0.4025787 0.1098584 -0.0416672 -0.2987947 -0.3238533
16 -0.0003952 -0.0074811 0.0388346 0.1079360 0.2275258 -0.0565968 0.3129706 -0.2387697 -0.3267470 0.3248757
17 -0.0025126 -0.0130097 0.0763467 0.1737504 0.1185682 0.5140439 -0.0382141 -0.1612538 -0.1057448 -0.0652142
18 0.0000571 0.0030804 -0.0262410 -0.1635498 -0.3714379 0.1064297 -0.2918341 0.0475384 0.2152589 -0.2539120
19 -0.0011149 -0.0063008 0.0460678 0.1058023 0.0751782 0.4661406 -0.1573203 -0.1834031 0.2279467 0.1822910
20 0.0000361 -0.0016589 0.0279392 0.2197520 0.5474818 -0.1088453 0.2425112 0.1185587 0.2128265 -0.0750226
21 0.0004197 0.0026054 -0.0252300 -0.0507170 -0.0358517 -0.3009652 0.1307856 0.1360482 -0.3037428 -0.3747991
22 -0.0000062 0.0007102 -0.0158069 -0.1356698 -0.3507943 0.0555519 -0.0970765 -0.0929358 -0.4051806 0.3245389
23 0.0001246 0.0008279 -0.0097209 -0.0198957 -0.0148849 -0.1240448 0.0548774 0.0664541 -0.1936858 -0.2321142
24 -0.0000034 -0.0002168 0.0044514 0.0509734 0.1279130 -0.0168796 0.0221174 0.0290209 0.2287279 -0.1857222
11 12 13 14 15 16 17 18 19 20
1 0.1186878 0.0136785 0.1190833 -0.0425778 -0.0934254 0.0384778 0.0096600 0.0031177 0.0163546 -0.0159341
2 -0.0324280 -0.1034053 -0.0115561 0.1032630 0.0175978 0.0918671 -0.0577059 -0.0141777 0.0216425 0.0008031
3 0.4380581 0.0658112 0.5327239 -0.2169937 -0.5032400 0.1734155 0.0315425 0.0206831 0.0953798 -0.1180869
4 -0.0042596 -0.3891466 0.0777860 0.4652117 -0.0246155 0.6136238 -0.3233063 -0.0904046 0.1918483 -0.0153191
5 0.2149507 0.0097542 -0.0563088 0.1295757 0.4494615 0.0580623 0.0463297 -0.0009011 -0.0775881 0.2470772
6 -0.0354155 0.2542709 -0.0688027 -0.0449231 0.0406940 0.2462633 -0.1655790 -0.1799388 0.2026846 0.0288370
7 -0.2903671 -0.0581375 -0.2856048 0.0526932 -0.3184734 -0.1417133 -0.2268172 -0.0975366 0.1392269 -0.4887880
8 0.0315327 -0.3616155 0.0966383 0.2898871 -0.0711416 -0.1019699 0.1649673 0.4570181 -0.3509897 -0.1059759
9 -0.3123545 0.0054712 0.1531797 -0.1136102 -0.2514003 0.1900621 0.1160301 0.1998004 -0.0539786 0.4393176
10 0.0114359 -0.3693263 0.1043628 -0.1400288 -0.0588575 -0.3488484 0.0134761 -0.5481199 0.1848342 0.2649064
11 0.2676768 -0.0332795 0.2105828 0.0791486 0.3708087 0.0358001 0.1201051 -0.2625405 0.0004509 -0.1978937
12 -0.0073910 -0.2550921 0.1173210 0.3104065 -0.1711579 -0.2716286 -0.1003489 -0.1489438 -0.1405546 0.2932799
13 0.2939890 -0.0887950 -0.2347880 0.0065675 -0.0782769 -0.2469425 -0.3513411 0.1652558 0.0755556 -0.0764883
14 0.0329114 0.3616286 -0.0018255 0.1184206 -0.0196593 0.0259473 -0.3871987 0.0639352 -0.1178739 0.1510637
15 0.1137490 0.0557893 0.3039347 0.0665598 0.1967571 -0.1798974 -0.1874882 -0.0277958 -0.1622566 -0.3258711
16 -0.0158195 0.0956194 -0.0286648 0.3079256 -0.2224172 -0.1280524 0.0718476 -0.2321073 -0.1214448 0.0764911
17 0.3059576 -0.0952706 -0.2238734 -0.0395804 -0.0145849 -0.1327646 -0.1104096 0.3440598 0.2941285 0.2249619
18 0.0809746 0.2397529 0.0717167 0.0797953 -0.0802022 -0.0869389 -0.3925091 -0.0927712 -0.2055198 0.2168250
19 0.0683875 0.0089259 -0.3532295 -0.0686550 -0.1264721 0.2472734 0.2287392 -0.2052963 -0.1842134 0.0469801
20 -0.1079622 -0.1502162 0.0569514 -0.3424524 0.1522663 0.0851688 -0.3193537 0.0390948 -0.0325935 0.1171232
21 0.3835275 -0.0607789 -0.2180997 0.0260206 -0.0570743 -0.0051694 0.0429127 0.0607171 0.2495716 0.1352852
22 -0.0686928 -0.2936921 0.0332985 -0.2328974 0.0915539 0.0283496 0.0110194 0.0855176 0.2627261 -0.0826733
23 0.3465159 -0.1106473 -0.3523876 -0.1381368 -0.1817172 0.2103474 0.0689199 -0.2031061 -0.4273988 -0.0761298
24 0.0411690 0.2992295 -0.0102267 0.4074660 -0.0911283 -0.0837820 0.3220864 0.0030522 0.4104175 0.0006247
21 22 23 24
1 0.0073514 -0.0039288 0.0056574 -0.0002109
2 -0.0176947 -0.0020238 -0.0004338 0.0007416
3 0.0537269 -0.0241319 0.0366491 0.0019252
4 -0.1113929 -0.0310287 0.0020535 0.0082082
5 -0.1147529 0.0189258 -0.0567132 -0.0126434
6 -0.1210343 -0.0449120 -0.0066151 0.0163677
7 0.1929728 -0.0188148 0.1133107 0.0445399
8 0.1833741 0.0979260 0.0300392 -0.0399008
9 -0.2310393 -0.0208835 -0.1555230 -0.0840666
10 -0.0301676 -0.1272564 -0.0986556 0.0408325
11 0.2428693 0.0350964 0.1910867 0.1191258
12 0.2500321 -0.1419643 -0.1773252 0.0260498
13 -0.4220694 -0.0264241 -0.2713127 -0.2034257
14 0.4754410 -0.2587446 -0.2726356 0.0799421
15 -0.2294559 -0.0087396 -0.3000478 -0.2788636
16 -0.2345877 0.3853322 0.3355396 -0.0603124
17 0.0088888 -0.0181469 0.2427729 0.3803450
18 0.0322656 0.4841520 0.2129975 -0.0478244
19 0.2159295 0.0118905 -0.1096659 -0.4699386
20 0.2465535 0.3886296 -0.0616123 -0.0416410
21 0.2199365 -0.0344686 0.1720635 -0.5153461
22 0.1609532 0.4703511 -0.2826417 -0.0392997
23 -0.0862697 0.1262693 -0.2923718 0.4356530
24 0.0879894 0.3280660 -0.4626888 0.1292288
alpha_old
1 2 3 4 5 6 7 8 9 10
1 -0.9378601 0.1307973 -0.2085318 -0.0068445 -0.0449479 -0.0867821 0.0929840 0.0661370 0.0604438 0.0924313
2 0.1848777 0.8462914 -0.4163405 0.2488416 -0.0480349 0.0361224 -0.0059671 -0.0841183 0.0261458 -0.0635695
3 0.2365999 0.0054892 -0.0286027 -0.0013879 -0.0319955 -0.1047263 0.1034414 0.1249294 0.1730754 0.3099063
4 -0.0427483 -0.1864405 0.0946469 0.1012555 -0.0517663 0.0063980 0.0152308 -0.1032713 0.1073985 -0.1094562
5 0.1361174 -0.0730481 -0.2477395 -0.1644197 -0.2559807 -0.3539116 0.4139657 0.3493055 0.1372581 0.2710259
6 -0.0273154 0.3646842 0.3761748 -0.5225123 0.2397643 -0.1087985 -0.1400010 0.2568178 -0.2128357 0.1183228
7 0.0714791 -0.0950980 -0.3102727 -0.2194751 -0.0527601 -0.3093487 0.1936524 0.1617660 -0.0091693 -0.1959679
8 -0.0159124 0.2101668 0.2822776 -0.4191539 0.0198812 -0.0330833 0.1168627 -0.0716826 0.1810500 -0.0967561
9 0.0480093 -0.1165850 -0.3845674 -0.2962273 0.1440799 -0.1335508 0.0069759 -0.1688370 -0.2321381 -0.3526484
10 -0.0093831 0.0993466 0.1933899 -0.1764659 -0.1288207 -0.0744887 0.2215343 -0.2583572 0.2541673 -0.2238882
11 0.0340463 -0.1066657 -0.3746685 -0.3256964 0.3035268 0.0807984 -0.2432959 -0.2782922 -0.0142179 0.0631062
12 0.0041538 -0.0454580 -0.1008832 0.1204585 0.2223510 -0.0197175 -0.3438667 0.4681319 -0.1662851 0.1257270
13 0.0136613 -0.0494122 -0.1872014 -0.2032531 0.1662978 0.2747072 -0.1159020 -0.1186027 0.3117021 0.3269951
14 0.0001751 0.0108612 0.0231488 -0.0608685 -0.0772214 0.0658825 0.2950971 -0.3774137 -0.2208325 0.2337685
15 -0.0056246 0.0247988 0.1142303 0.1920483 0.1137678 -0.4407411 0.0163504 -0.0983686 -0.2802489 -0.2194918
16 -0.0004022 0.0074914 0.0386662 0.0867755 0.2607482 0.0228758 0.3586380 -0.1863668 -0.3221385 0.3436015
17 -0.0024831 0.0127061 0.0723792 0.1559653 0.1858140 -0.4925127 -0.1271021 -0.2242364 0.0234563 0.0940604
18 0.0000680 -0.0031036 -0.0258255 -0.1267425 -0.4123394 -0.0777429 -0.3432421 -0.0189145 0.1161153 -0.1308402
19 -0.0010681 0.0058807 0.0406046 0.0860344 0.1094402 -0.3923398 -0.2159310 -0.2257272 0.3272103 0.2458257
20 0.0000323 0.0015407 0.0248029 0.1465771 0.5351951 0.0944750 0.2845066 0.1778835 0.3056975 -0.2516189
21 0.0003185 -0.0018939 -0.0168018 -0.0337646 -0.0575243 0.1693296 0.1104824 0.0969052 -0.2521749 -0.1380855
22 0.0000014 -0.0005682 -0.0120547 -0.0673789 -0.2569693 -0.0353612 -0.0924454 -0.0872390 -0.3231856 0.2308835
11 12 13 14 15 16 17 18 19 20
1 0.1228171 -0.0470964 -0.1192658 0.0147713 0.0228744 0.0443436 -0.0086794 -0.0098513 0.0205001 -0.0076007
2 0.0012722 0.1211155 0.0176190 -0.1086837 -0.0143937 0.0557008 -0.0494354 0.0050018 -0.0003451 0.0186031
3 0.5006956 -0.2154534 -0.5932295 0.0921633 0.1570760 0.2316572 -0.0525906 -0.0379713 0.1402716 -0.0555370
4 0.1286433 0.4740684 -0.0634342 -0.5826619 -0.0725737 0.4184651 -0.3370385 0.0045972 0.0317889 0.1197135
5 0.0985974 0.0277569 0.3173826 -0.1474730 -0.3081696 -0.0948556 0.0617929 -0.0317757 -0.2518825 0.1218248
6 -0.1239958 -0.1986159 0.0193371 -0.1254734 -0.0832426 0.1600122 -0.3291607 -0.0357093 -0.0009646 0.1339247
7 -0.3447952 0.1244217 -0.0029659 0.0436993 0.3973449 0.0299970 -0.2172893 0.1283325 0.4788810 -0.2055041
8 0.1622372 0.3897345 -0.0296514 -0.0970930 0.1130664 -0.0037521 0.6063486 0.1122044 0.0469217 -0.2095428
9 -0.0925357 -0.0331680 -0.3425722 0.0330693 -0.0032574 0.2221809 0.1856242 -0.1227039 -0.4212236 0.2452374
10 0.1543183 0.2175249 -0.0902679 0.3139371 0.0586300 -0.4024098 -0.4678550 -0.1842230 -0.2096893 0.0549149
11 0.3454180 -0.0049963 0.1245489 -0.0996756 -0.3418487 -0.2260324 -0.1292515 -0.0484315 0.2161084 -0.2524652
12 0.1082635 0.3905249 -0.0954920 -0.0858643 0.2791654 -0.2858230 -0.0384249 -0.0520956 -0.3092783 -0.2419833
13 0.0256884 0.0590168 0.2581516 0.0777819 0.3770521 0.0601334 -0.0441429 0.2741020 0.0092397 0.4271226
14 -0.0610145 -0.2403663 0.0703686 -0.2898902 0.2226025 0.0440104 -0.0532959 0.1580051 -0.2276386 -0.4658799
15 0.3579617 -0.1155264 0.0780227 -0.1407557 0.0247248 -0.2583686 0.0230454 0.3452722 0.2165587 0.2024090
16 -0.1047045 0.1623777 -0.1319665 -0.1390176 0.1958114 -0.2506715 -0.0301826 -0.1749456 -0.0362406 0.2133936
17 0.1379617 0.0521448 0.3360391 0.2334095 0.2183151 0.3152748 0.0561938 -0.0620229 -0.1709655 0.0420194
18 0.0790444 -0.2721239 0.0324408 -0.2811253 0.3084163 -0.1293524 -0.1080685 0.1352054 -0.3066961 -0.0460206
19 -0.3319175 0.0112549 -0.0906651 -0.0122740 -0.1369696 0.0267460 -0.0209986 -0.2498189 -0.0097905 -0.2597573
20 0.0006952 -0.1317760 0.0229264 0.0489866 -0.0831595 0.1000929 -0.1567547 0.3785941 -0.2869716 -0.2388387
21 0.3235504 0.0202670 0.3850482 0.1986293 0.1686439 0.3113128 -0.1011354 -0.4069182 0.0117840 -0.2204932
22 -0.0183892 0.3282728 -0.1063583 0.4116485 -0.2663652 0.1662250 -0.1620051 0.5192764 -0.1190334 -0.1216921
21 22
1 0.0013741 -0.0011875
2 -0.0022315 -0.0008705
3 0.0081923 -0.0121016
4 -0.0248399 -0.0127322
5 -0.0235480 0.0279291
6 -0.0432095 -0.0223164
7 0.0556206 -0.0762349
8 0.1041242 0.0487540
9 -0.1053916 0.1252474
10 -0.1700396 -0.0334223
11 0.1349062 -0.1674263
12 -0.2322118 0.0039752
13 -0.1684951 0.2726011
14 -0.3999164 -0.0420777
15 -0.1522682 0.3701445
16 0.5327024 0.0210096
17 0.0648805 -0.4787537
18 0.5089230 0.0356523
19 0.0253976 0.5312934
20 0.2470022 0.0755449
21 0.1422799 0.4453190
22 0.1744048 0.1227841
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 -0.9378587 -0.1307047 -0.9378601 0.1307973 -0.2086843 -0.0088949 -0.0368587 0.0605374 0.1123541 0.0612818
2 0.1848788 -0.8461729 0.1848777 0.8462914 -0.4161807 0.2410769 -0.0757430 -0.0317043 -0.0174844 -0.0840448
3 0.2365975 -0.0055096 0.2365999 0.0054892 -0.0281963 -0.0009370 -0.0215903 0.0761691 0.1275851 0.1156634
4 -0.0427518 0.1863816 -0.0427483 -0.1864405 0.0951047 0.0941698 -0.0616362 -0.0062547 0.0087188 -0.1020402
5 0.1361224 0.0731955 0.1361174 -0.0730481 -0.2488788 -0.1844216 -0.2099863 0.2271897 0.5004303 0.3269295
6 -0.0273183 -0.3647836 -0.0273154 0.3646842 0.3748100 -0.4935254 0.2760599 0.1290718 -0.1033209 0.2720950
7 0.0714807 0.0952064 0.0714791 -0.0950980 -0.3102425 -0.2161649 -0.0182075 0.2485776 0.2633629 0.1663985
8 -0.0159166 -0.2102400 -0.0159124 0.2101668 0.2810681 -0.4080909 0.0822563 0.0249785 0.1135454 -0.0814632
9 0.0480115 0.1167266 0.0480093 -0.1165850 -0.3845466 -0.2784228 0.1546650 0.1497722 0.0195570 -0.1529306
10 -0.0093892 -0.0994013 -0.0093831 0.0993466 0.1924372 -0.1880514 -0.0977425 0.0443237 0.2163138 -0.2681669
11 0.0340503 0.1067801 0.0340463 -0.1066657 -0.3739417 -0.2862277 0.3214765 0.0120648 -0.2779557 -0.2552408
12 0.0041486 0.0454296 0.0041538 -0.0454580 -0.0996518 0.1346036 0.1633829 0.0711300 -0.3124006 0.4824797
13 0.0136702 0.0495234 0.0136613 -0.0494122 -0.1874922 -0.1792817 0.1983646 -0.2045458 -0.1884416 -0.1412602
14 0.0001741 -0.0108265 0.0001751 0.0108612 0.0221109 -0.0737802 -0.0734005 -0.0896981 0.2440964 -0.4121287
15 -0.0056344 -0.0249589 -0.0056246 0.0247988 0.1161435 0.1988262 0.0536681 0.4025787 0.1098584 -0.0416672
16 -0.0003952 -0.0074811 -0.0004022 0.0074914 0.0388346 0.1079360 0.2275258 -0.0565968 0.3129706 -0.2387697
17 -0.0025126 -0.0130097 -0.0024831 0.0127061 0.0763467 0.1737504 0.1185682 0.5140439 -0.0382141 -0.1612538
18 0.0000571 0.0030804 0.0000680 -0.0031036 -0.0262410 -0.1635498 -0.3714379 0.1064297 -0.2918341 0.0475384
19 -0.0011149 -0.0063008 -0.0010681 0.0058807 0.0460678 0.1058023 0.0751782 0.4661406 -0.1573203 -0.1834031
20 0.0000361 -0.0016589 0.0000323 0.0015407 0.0279392 0.2197520 0.5474818 -0.1088453 0.2425112 0.1185587
21 0.0004197 0.0026054 0.0003185 -0.0018939 -0.0252300 -0.0507170 -0.0358517 -0.3009652 0.1307856 0.1360482
22 -0.0000062 0.0007102 0.0000014 -0.0005682 -0.0158069 -0.1356698 -0.3507943 0.0555519 -0.0970765 -0.0929358
23 0.0001246 0.0008279 0.0000000 0.0000000 -0.0097209 -0.0198957 -0.0148849 -0.1240448 0.0548774 0.0664541
24 -0.0000034 -0.0002168 0.0000000 0.0000000 0.0044514 0.0509734 0.1279130 -0.0168796 0.0221174 0.0290209
11 12 13 14 15 16 17 18 19 20
1 0.0506880 0.0631529 0.1186878 0.0136785 0.1190833 -0.0425778 -0.0934254 0.0384778 0.0096600 0.0031177
2 0.0186316 -0.0438559 -0.0324280 -0.1034053 -0.0115561 0.1032630 0.0175978 0.0918671 -0.0577059 -0.0141777
3 0.1254070 0.1958503 0.4380581 0.0658112 0.5327239 -0.2169937 -0.5032400 0.1734155 0.0315425 0.0206831
4 0.0694600 -0.0646050 -0.0042596 -0.3891466 0.0777860 0.4652117 -0.0246155 0.6136238 -0.3233063 -0.0904046
5 0.1396767 0.2234027 0.2149507 0.0097542 -0.0563088 0.1295757 0.4494615 0.0580623 0.0463297 -0.0009011
6 -0.1921182 0.0883677 -0.0354155 0.2542709 -0.0688027 -0.0449231 0.0406940 0.2462633 -0.1655790 -0.1799388
7 0.0229717 -0.1032507 -0.2903671 -0.0581375 -0.2856048 0.0526932 -0.3184734 -0.1417133 -0.2268172 -0.0975366
8 0.1489126 -0.0503050 0.0315327 -0.3616155 0.0966383 0.2898871 -0.0711416 -0.1019699 0.1649673 0.4570181
9 -0.1954605 -0.2661127 -0.3123545 0.0054712 0.1531797 -0.1136102 -0.2514003 0.1900621 0.1160301 0.1998004
10 0.1979007 -0.1591147 0.0114359 -0.3693263 0.1043628 -0.1400288 -0.0588575 -0.3488484 0.0134761 -0.5481199
11 -0.0671780 -0.0486773 0.2676768 -0.0332795 0.2105828 0.0791486 0.3708087 0.0358001 0.1201051 -0.2625405
12 -0.2207193 0.1931053 -0.0073910 -0.2550921 0.1173210 0.3104065 -0.1711579 -0.2716286 -0.1003489 -0.1489438
13 0.2167978 0.2643292 0.2939890 -0.0887950 -0.2347880 0.0065675 -0.0782769 -0.2469425 -0.3513411 0.1652558
14 -0.1507745 0.1510246 0.0329114 0.3616286 -0.0018255 0.1184206 -0.0196593 0.0259473 -0.3871987 0.0639352
15 -0.2987947 -0.3238533 0.1137490 0.0557893 0.3039347 0.0665598 0.1967571 -0.1798974 -0.1874882 -0.0277958
16 -0.3267470 0.3248757 -0.0158195 0.0956194 -0.0286648 0.3079256 -0.2224172 -0.1280524 0.0718476 -0.2321073
17 -0.1057448 -0.0652142 0.3059576 -0.0952706 -0.2238734 -0.0395804 -0.0145849 -0.1327646 -0.1104096 0.3440598
18 0.2152589 -0.2539120 0.0809746 0.2397529 0.0717167 0.0797953 -0.0802022 -0.0869389 -0.3925091 -0.0927712
19 0.2279467 0.1822910 0.0683875 0.0089259 -0.3532295 -0.0686550 -0.1264721 0.2472734 0.2287392 -0.2052963
20 0.2128265 -0.0750226 -0.1079622 -0.1502162 0.0569514 -0.3424524 0.1522663 0.0851688 -0.3193537 0.0390948
21 -0.3037428 -0.3747991 0.3835275 -0.0607789 -0.2180997 0.0260206 -0.0570743 -0.0051694 0.0429127 0.0607171
22 -0.4051806 0.3245389 -0.0686928 -0.2936921 0.0332985 -0.2328974 0.0915539 0.0283496 0.0110194 0.0855176
23 -0.1936858 -0.2321142 0.3465159 -0.1106473 -0.3523876 -0.1381368 -0.1817172 0.2103474 0.0689199 -0.2031061
24 0.2287279 -0.1857222 0.0411690 0.2992295 -0.0102267 0.4074660 -0.0911283 -0.0837820 0.3220864 0.0030522
21 22 23 24 25 26 27 28 29 30
1 0.0163546 -0.0159341 0.0073514 -0.0039288 0.0056574 -0.0002109 -0.2085318 -0.0068445 -0.0449479 -0.0867821
2 0.0216425 0.0008031 -0.0176947 -0.0020238 -0.0004338 0.0007416 -0.4163405 0.2488416 -0.0480349 0.0361224
3 0.0953798 -0.1180869 0.0537269 -0.0241319 0.0366491 0.0019252 -0.0286027 -0.0013879 -0.0319955 -0.1047263
4 0.1918483 -0.0153191 -0.1113929 -0.0310287 0.0020535 0.0082082 0.0946469 0.1012555 -0.0517663 0.0063980
5 -0.0775881 0.2470772 -0.1147529 0.0189258 -0.0567132 -0.0126434 -0.2477395 -0.1644197 -0.2559807 -0.3539116
6 0.2026846 0.0288370 -0.1210343 -0.0449120 -0.0066151 0.0163677 0.3761748 -0.5225123 0.2397643 -0.1087985
7 0.1392269 -0.4887880 0.1929728 -0.0188148 0.1133107 0.0445399 -0.3102727 -0.2194751 -0.0527601 -0.3093487
8 -0.3509897 -0.1059759 0.1833741 0.0979260 0.0300392 -0.0399008 0.2822776 -0.4191539 0.0198812 -0.0330833
9 -0.0539786 0.4393176 -0.2310393 -0.0208835 -0.1555230 -0.0840666 -0.3845674 -0.2962273 0.1440799 -0.1335508
10 0.1848342 0.2649064 -0.0301676 -0.1272564 -0.0986556 0.0408325 0.1933899 -0.1764659 -0.1288207 -0.0744887
11 0.0004509 -0.1978937 0.2428693 0.0350964 0.1910867 0.1191258 -0.3746685 -0.3256964 0.3035268 0.0807984
12 -0.1405546 0.2932799 0.2500321 -0.1419643 -0.1773252 0.0260498 -0.1008832 0.1204585 0.2223510 -0.0197175
13 0.0755556 -0.0764883 -0.4220694 -0.0264241 -0.2713127 -0.2034257 -0.1872014 -0.2032531 0.1662978 0.2747072
14 -0.1178739 0.1510637 0.4754410 -0.2587446 -0.2726356 0.0799421 0.0231488 -0.0608685 -0.0772214 0.0658825
15 -0.1622566 -0.3258711 -0.2294559 -0.0087396 -0.3000478 -0.2788636 0.1142303 0.1920483 0.1137678 -0.4407411
16 -0.1214448 0.0764911 -0.2345877 0.3853322 0.3355396 -0.0603124 0.0386662 0.0867755 0.2607482 0.0228758
17 0.2941285 0.2249619 0.0088888 -0.0181469 0.2427729 0.3803450 0.0723792 0.1559653 0.1858140 -0.4925127
18 -0.2055198 0.2168250 0.0322656 0.4841520 0.2129975 -0.0478244 -0.0258255 -0.1267425 -0.4123394 -0.0777429
19 -0.1842134 0.0469801 0.2159295 0.0118905 -0.1096659 -0.4699386 0.0406046 0.0860344 0.1094402 -0.3923398
20 -0.0325935 0.1171232 0.2465535 0.3886296 -0.0616123 -0.0416410 0.0248029 0.1465771 0.5351951 0.0944750
21 0.2495716 0.1352852 0.2199365 -0.0344686 0.1720635 -0.5153461 -0.0168018 -0.0337646 -0.0575243 0.1693296
22 0.2627261 -0.0826733 0.1609532 0.4703511 -0.2826417 -0.0392997 -0.0120547 -0.0673789 -0.2569693 -0.0353612
23 -0.4273988 -0.0761298 -0.0862697 0.1262693 -0.2923718 0.4356530 0.0000000 0.0000000 0.0000000 0.0000000
24 0.4104175 0.0006247 0.0879894 0.3280660 -0.4626888 0.1292288 0.0000000 0.0000000 0.0000000 0.0000000
31 32 33 34 35 36 37 38 39 40
1 0.0929840 0.0661370 0.0604438 0.0924313 0.1228171 -0.0470964 -0.1192658 0.0147713 0.0228744 0.0443436
2 -0.0059671 -0.0841183 0.0261458 -0.0635695 0.0012722 0.1211155 0.0176190 -0.1086837 -0.0143937 0.0557008
3 0.1034414 0.1249294 0.1730754 0.3099063 0.5006956 -0.2154534 -0.5932295 0.0921633 0.1570760 0.2316572
4 0.0152308 -0.1032713 0.1073985 -0.1094562 0.1286433 0.4740684 -0.0634342 -0.5826619 -0.0725737 0.4184651
5 0.4139657 0.3493055 0.1372581 0.2710259 0.0985974 0.0277569 0.3173826 -0.1474730 -0.3081696 -0.0948556
6 -0.1400010 0.2568178 -0.2128357 0.1183228 -0.1239958 -0.1986159 0.0193371 -0.1254734 -0.0832426 0.1600122
7 0.1936524 0.1617660 -0.0091693 -0.1959679 -0.3447952 0.1244217 -0.0029659 0.0436993 0.3973449 0.0299970
8 0.1168627 -0.0716826 0.1810500 -0.0967561 0.1622372 0.3897345 -0.0296514 -0.0970930 0.1130664 -0.0037521
9 0.0069759 -0.1688370 -0.2321381 -0.3526484 -0.0925357 -0.0331680 -0.3425722 0.0330693 -0.0032574 0.2221809
10 0.2215343 -0.2583572 0.2541673 -0.2238882 0.1543183 0.2175249 -0.0902679 0.3139371 0.0586300 -0.4024098
11 -0.2432959 -0.2782922 -0.0142179 0.0631062 0.3454180 -0.0049963 0.1245489 -0.0996756 -0.3418487 -0.2260324
12 -0.3438667 0.4681319 -0.1662851 0.1257270 0.1082635 0.3905249 -0.0954920 -0.0858643 0.2791654 -0.2858230
13 -0.1159020 -0.1186027 0.3117021 0.3269951 0.0256884 0.0590168 0.2581516 0.0777819 0.3770521 0.0601334
14 0.2950971 -0.3774137 -0.2208325 0.2337685 -0.0610145 -0.2403663 0.0703686 -0.2898902 0.2226025 0.0440104
15 0.0163504 -0.0983686 -0.2802489 -0.2194918 0.3579617 -0.1155264 0.0780227 -0.1407557 0.0247248 -0.2583686
16 0.3586380 -0.1863668 -0.3221385 0.3436015 -0.1047045 0.1623777 -0.1319665 -0.1390176 0.1958114 -0.2506715
17 -0.1271021 -0.2242364 0.0234563 0.0940604 0.1379617 0.0521448 0.3360391 0.2334095 0.2183151 0.3152748
18 -0.3432421 -0.0189145 0.1161153 -0.1308402 0.0790444 -0.2721239 0.0324408 -0.2811253 0.3084163 -0.1293524
19 -0.2159310 -0.2257272 0.3272103 0.2458257 -0.3319175 0.0112549 -0.0906651 -0.0122740 -0.1369696 0.0267460
20 0.2845066 0.1778835 0.3056975 -0.2516189 0.0006952 -0.1317760 0.0229264 0.0489866 -0.0831595 0.1000929
21 0.1104824 0.0969052 -0.2521749 -0.1380855 0.3235504 0.0202670 0.3850482 0.1986293 0.1686439 0.3113128
22 -0.0924454 -0.0872390 -0.3231856 0.2308835 -0.0183892 0.3282728 -0.1063583 0.4116485 -0.2663652 0.1662250
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
41 42 43 44 45 46
1 -0.0086794 -0.0098513 0.0205001 -0.0076007 0.0013741 -0.0011875
2 -0.0494354 0.0050018 -0.0003451 0.0186031 -0.0022315 -0.0008705
3 -0.0525906 -0.0379713 0.1402716 -0.0555370 0.0081923 -0.0121016
4 -0.3370385 0.0045972 0.0317889 0.1197135 -0.0248399 -0.0127322
5 0.0617929 -0.0317757 -0.2518825 0.1218248 -0.0235480 0.0279291
6 -0.3291607 -0.0357093 -0.0009646 0.1339247 -0.0432095 -0.0223164
7 -0.2172893 0.1283325 0.4788810 -0.2055041 0.0556206 -0.0762349
8 0.6063486 0.1122044 0.0469217 -0.2095428 0.1041242 0.0487540
9 0.1856242 -0.1227039 -0.4212236 0.2452374 -0.1053916 0.1252474
10 -0.4678550 -0.1842230 -0.2096893 0.0549149 -0.1700396 -0.0334223
11 -0.1292515 -0.0484315 0.2161084 -0.2524652 0.1349062 -0.1674263
12 -0.0384249 -0.0520956 -0.3092783 -0.2419833 -0.2322118 0.0039752
13 -0.0441429 0.2741020 0.0092397 0.4271226 -0.1684951 0.2726011
14 -0.0532959 0.1580051 -0.2276386 -0.4658799 -0.3999164 -0.0420777
15 0.0230454 0.3452722 0.2165587 0.2024090 -0.1522682 0.3701445
16 -0.0301826 -0.1749456 -0.0362406 0.2133936 0.5327024 0.0210096
17 0.0561938 -0.0620229 -0.1709655 0.0420194 0.0648805 -0.4787537
18 -0.1080685 0.1352054 -0.3066961 -0.0460206 0.5089230 0.0356523
19 -0.0209986 -0.2498189 -0.0097905 -0.2597573 0.0253976 0.5312934
20 -0.1567547 0.3785941 -0.2869716 -0.2388387 0.2470022 0.0755449
21 -0.1011354 -0.4069182 0.0117840 -0.2204932 0.1422799 0.4453190
22 -0.1620051 0.5192764 -0.1190334 -0.1216921 0.1744048 0.1227841
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Iter=13 L=4 The G Matrix
0 1 2 3
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0001093457763
Norm of residual vector 0 after precondition 0.0001093457763
1 0.3662870782 -1.89e-15 1.09e-04 N
Norm of residual vector af preconditioning 0.0000297251557
Norm of residual vector 1 before precondition 0.0007147066618
Norm of residual vector 1 after precondition 0.0007147066618
2 0.4294566447 -1.67e-16 7.15e-04 N
Norm of residual vector af preconditioning 0.0002143880664
Iter=14 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.6196255089
FSD , D(norm sigma)= -0.0000268804
WamefSD, D(norm sigma)= 0.0164368717
WmnieSD, D(norm sigma)= 0.0043969496
WmaijDS, D(norm sigma)= 0.0130401976
WabejDS, D(norm sigma)= -0.0005819318
WnmjeDS, D(norm sigma)= -0.0000426139
WbmfeDS, D(norm sigma)= 0.0001226760
Fbe_FDD , D(norm sigma)= 1.1054217110
Fmj_DD, D(norm sigma)= 2.8835468753
WmnijDD, D(norm sigma)= 0.6471300943
WabefDD, D(norm sigma)= 0.2763434374
WmbejDD, D(norm sigma)= -0.8998322929
WmnefDD XAF, D(norm sigma)= 0.0009440883
WmnefDD XLI, D(norm sigma)= 0.0002320122
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8260158350
FSD , D(norm sigma)= 0.0000287032
WamefSD, D(norm sigma)= 0.0007968117
WmnieSD, D(norm sigma)= 0.0432936785
WmaijDS, D(norm sigma)= 0.0131835046
WabejDS, D(norm sigma)= 0.0014211201
WnmjeDS, D(norm sigma)= 0.0003529360
WbmfeDS, D(norm sigma)= -0.0004602924
Fbe_FDD , D(norm sigma)= 0.8631597747
Fmj_DD, D(norm sigma)= 3.0601720928
WmnijDD, D(norm sigma)= 0.6876418674
WabefDD, D(norm sigma)= 0.2319618350
WmbejDD, D(norm sigma)= -0.8734397489
WmnefDD XAF, D(norm sigma)= 0.0007898255
WmnefDD XLI, D(norm sigma)= 0.0000642617
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
5
0 -0.000622666704334
1 -0.001680046581953
2 0.145664146445167
3 0.353788547156442
4 -0.494875125010863
5 2.419947265162707
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000403326879
Norm of residual vector 0 after precondition 0.0000403326879
1 0.3662871405 6.23e-08 4.03e-05 N
Norm of residual vector af preconditioning 0.0000104268624
Norm of residual vector 1 before precondition 0.0003021395000
Norm of residual vector 1 after precondition 0.0003021395000
2 0.4294571260 4.81e-07 3.02e-04 N
Norm of residual vector af preconditioning 0.0000849210294
Iter=15 L=8 resetting norm
SigmaSS, D(norm sigma)= 1.0272464967
FSD , D(norm sigma)= -0.0002011585
WamefSD, D(norm sigma)= 0.0495959775
WmnieSD, D(norm sigma)= 0.0383366153
WmaijDS, D(norm sigma)= 0.0095024073
WabejDS, D(norm sigma)= 0.0057591231
WnmjeDS, D(norm sigma)= 0.0000727728
WbmfeDS, D(norm sigma)= -0.0002135873
Fbe_FDD , D(norm sigma)= 1.0633778545
Fmj_DD, D(norm sigma)= 3.7917717378
WmnijDD, D(norm sigma)= 0.7945806698
WabefDD, D(norm sigma)= 0.2657475470
WmbejDD, D(norm sigma)= -0.8556384476
WmnefDD XAF, D(norm sigma)= 0.0005367745
WmnefDD XLI, D(norm sigma)= 0.0002040159
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.9472369596
FSD , D(norm sigma)= -0.0001060011
WamefSD, D(norm sigma)= 0.0098719891
WmnieSD, D(norm sigma)= 0.0695038823
WmaijDS, D(norm sigma)= 0.0106324625
WabejDS, D(norm sigma)= 0.0047261186
WnmjeDS, D(norm sigma)= -0.0000431881
WbmfeDS, D(norm sigma)= -0.0000157473
Fbe_FDD , D(norm sigma)= 0.8447583614
Fmj_DD, D(norm sigma)= 4.2497187563
WmnijDD, D(norm sigma)= 0.8732977908
WabefDD, D(norm sigma)= 0.2212137007
WmbejDD, D(norm sigma)= -0.8044401473
WmnefDD XAF, D(norm sigma)= 0.0006239977
WmnefDD XLI, D(norm sigma)= 0.0001039460
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
5 6 7
0 -0.000622666704334 0.001177608205276 -0.001261249975809
1 -0.001680046581953 -0.001989798588629 -0.002222683083393
2 0.145664146445167 0.272705770753015 0.221584122338080
3 0.353788547156442 0.014082507645550 0.164768391703663
4 -0.494875125010863 -1.514786231574716 -0.465294992608276
5 2.419947265162707 0.252929678265322 1.391891490808830
6 0.254346213648579 3.429523532725766 0.616759718324519
7 1.393082004411643 0.616627910971035 3.197683233618955
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000127382333
Norm of residual vector 0 after precondition 0.0000127382333
1 0.3662871436 3.09e-09 1.27e-05 N
Norm of residual vector af preconditioning 0.0000032256614
Norm of residual vector 1 before precondition 0.0001100019848
Norm of residual vector 1 after precondition 0.0001100019848
2 0.4294574753 3.49e-07 1.10e-04 N
Norm of residual vector af preconditioning 0.0000304806950
Iter=16 L=10 resetting norm
SigmaSS, D(norm sigma)= 1.2350388129
FSD , D(norm sigma)= -0.0001664322
WamefSD, D(norm sigma)= 0.0329523202
WmnieSD, D(norm sigma)= 0.0759735699
WmaijDS, D(norm sigma)= 0.0060682370
WabejDS, D(norm sigma)= 0.0027872559
WnmjeDS, D(norm sigma)= 0.0000134668
WbmfeDS, D(norm sigma)= -0.0000258743
Fbe_FDD , D(norm sigma)= 1.0233244659
Fmj_DD, D(norm sigma)= 4.1362965452
WmnijDD, D(norm sigma)= 0.8929247645
WabefDD, D(norm sigma)= 0.2681541562
WmbejDD, D(norm sigma)= -0.9178773327
WmnefDD XAF, D(norm sigma)= 0.0004686162
WmnefDD XLI, D(norm sigma)= 0.0001443279
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7630278427
FSD , D(norm sigma)= 0.0000241193
WamefSD, D(norm sigma)= 0.0242274357
WmnieSD, D(norm sigma)= 0.0524099513
WmaijDS, D(norm sigma)= 0.0111299261
WabejDS, D(norm sigma)= 0.0029618001
WnmjeDS, D(norm sigma)= 0.0000783679
WbmfeDS, D(norm sigma)= -0.0001455603
Fbe_FDD , D(norm sigma)= 0.9546855924
Fmj_DD, D(norm sigma)= 3.8602000872
WmnijDD, D(norm sigma)= 0.7831307999
WabefDD, D(norm sigma)= 0.2379776470
WmbejDD, D(norm sigma)= -0.8185481251
WmnefDD XAF, D(norm sigma)= 0.0005375024
WmnefDD XLI, D(norm sigma)= 0.0001963004
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000042656347
Norm of residual vector 0 after precondition 0.0000042656347
1 0.3662871310 -1.26e-08 4.27e-06 N
Norm of residual vector af preconditioning 0.0000010787374
Norm of residual vector 1 before precondition 0.0000404016011
Norm of residual vector 1 after precondition 0.0000404016011
2 0.4294574151 -6.02e-08 4.04e-05 N
Norm of residual vector af preconditioning 0.0000111273752
Iter=17 L=12 resetting norm
SigmaSS, D(norm sigma)= 1.0298116180
FSD , D(norm sigma)= -0.0002078136
WamefSD, D(norm sigma)= 0.0214934241
WmnieSD, D(norm sigma)= 0.0673313827
WmaijDS, D(norm sigma)= 0.0094449934
WabejDS, D(norm sigma)= 0.0055234367
WnmjeDS, D(norm sigma)= 0.0000439076
WbmfeDS, D(norm sigma)= -0.0001534797
Fbe_FDD , D(norm sigma)= 0.9966572615
Fmj_DD, D(norm sigma)= 4.1938055589
WmnijDD, D(norm sigma)= 0.8849028383
WabefDD, D(norm sigma)= 0.2375000592
WmbejDD, D(norm sigma)= -0.8814471677
WmnefDD XAF, D(norm sigma)= 0.0005234366
WmnefDD XLI, D(norm sigma)= 0.0001479689
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6073966069
FSD , D(norm sigma)= -0.0000607040
WamefSD, D(norm sigma)= 0.0180491007
WmnieSD, D(norm sigma)= 0.0320247406
WmaijDS, D(norm sigma)= 0.0134134341
WabejDS, D(norm sigma)= 0.0034613335
WnmjeDS, D(norm sigma)= -0.0000585636
WbmfeDS, D(norm sigma)= -0.0000126908
Fbe_FDD , D(norm sigma)= 1.0492084772
Fmj_DD, D(norm sigma)= 4.2946056029
WmnijDD, D(norm sigma)= 0.8682966026
WabefDD, D(norm sigma)= 0.2354459017
WmbejDD, D(norm sigma)= -0.7473472276
WmnefDD XAF, D(norm sigma)= 0.0005281035
WmnefDD XLI, D(norm sigma)= 0.0001516226
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
10 11
0 -0.000564695585369 -0.002617026067433
1 0.001904956573854 0.003260412604733
2 -0.010733374310315 0.237249881305684
3 -0.025457327023958 0.067660969342651
4 0.198869388776093 -0.517328441855559
5 -0.028872415168672 0.268390027948162
6 -0.774838385337396 0.795185844316637
7 -0.013118365641251 0.916441781590764
8 2.019429306104502 -0.763430016452645
9 0.152767573040735 -1.771050571721052
10 3.418905759268714 -0.595680208774241
11 -0.594843494453985 3.212018019234850
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000015282332
Norm of residual vector 0 after precondition 0.0000015282332
1 0.3662871270 -4.04e-09 1.53e-06 N
Norm of residual vector af preconditioning 0.0000004018059
Norm of residual vector 1 before precondition 0.0000151898598
Norm of residual vector 1 after precondition 0.0000151898598
2 0.4294574339 1.88e-08 1.52e-05 N
Norm of residual vector af preconditioning 0.0000044845670
Iter=18 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.9088902284
FSD , D(norm sigma)= -0.0000383621
WamefSD, D(norm sigma)= 0.0218114365
WmnieSD, D(norm sigma)= 0.0688702240
WmaijDS, D(norm sigma)= 0.0081527673
WabejDS, D(norm sigma)= 0.0046099070
WnmjeDS, D(norm sigma)= 0.0000387642
WbmfeDS, D(norm sigma)= -0.0006030836
Fbe_FDD , D(norm sigma)= 0.9478339736
Fmj_DD, D(norm sigma)= 5.5429518686
WmnijDD, D(norm sigma)= 1.0915756559
WabefDD, D(norm sigma)= 0.2278075366
WmbejDD, D(norm sigma)= -0.8507060981
WmnefDD XAF, D(norm sigma)= 0.0005003374
WmnefDD XLI, D(norm sigma)= 0.0001201283
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4749556873
FSD , D(norm sigma)= -0.0000201985
WamefSD, D(norm sigma)= -0.0124686813
WmnieSD, D(norm sigma)= 0.0382290630
WmaijDS, D(norm sigma)= 0.0124395049
WabejDS, D(norm sigma)= 0.0039819222
WnmjeDS, D(norm sigma)= 0.0000388117
WbmfeDS, D(norm sigma)= -0.0002388811
Fbe_FDD , D(norm sigma)= 1.0711547045
Fmj_DD, D(norm sigma)= 3.6282121424
WmnijDD, D(norm sigma)= 0.7868112963
WabefDD, D(norm sigma)= 0.2517696893
WmbejDD, D(norm sigma)= -0.7875603842
WmnefDD XAF, D(norm sigma)= 0.0005290694
WmnefDD XLI, D(norm sigma)= 0.0000754535
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
10 11 12 13
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000005660293
Norm of residual vector 0 after precondition 0.0000005660293
1 0.3662871248 -2.17e-09 5.66e-07 Y
Norm of residual vector 1 before precondition 0.0000064669389
Norm of residual vector 1 after precondition 0.0000064669389
2 0.4294574328 -1.08e-09 6.47e-06 N
Norm of residual vector af preconditioning 0.0000020848102
Iter=19 L=15 resetting norm
SigmaSS, D(norm sigma)= 0.8886122867
FSD , D(norm sigma)= -0.0000109348
WamefSD, D(norm sigma)= 0.0214926518
WmnieSD, D(norm sigma)= 0.0447027301
WmaijDS, D(norm sigma)= 0.0136959238
WabejDS, D(norm sigma)= -0.0006551327
WnmjeDS, D(norm sigma)= 0.0000464286
WbmfeDS, D(norm sigma)= -0.0000367669
Fbe_FDD , D(norm sigma)= 0.8834188113
Fmj_DD, D(norm sigma)= 3.7972830177
WmnijDD, D(norm sigma)= 0.7809041197
WabefDD, D(norm sigma)= 0.2134497014
WmbejDD, D(norm sigma)= -0.8382277787
WmnefDD XAF, D(norm sigma)= 0.0004964922
WmnefDD XLI, D(norm sigma)= 0.0001147810
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002677230
Norm of residual vector 0 after precondition 0.0000002677230
1 0.3662871246 -2.23e-10 2.68e-07 Y
Norm of residual vector 1 before precondition 0.0000034361321
Norm of residual vector 1 after precondition 0.0000034361321
2 0.4294574354 2.61e-09 3.44e-06 N
Norm of residual vector af preconditioning 0.0000010245602
Iter=20 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.9841135082
FSD , D(norm sigma)= -0.0001646086
WamefSD, D(norm sigma)= 0.0161499320
WmnieSD, D(norm sigma)= 0.0668248607
WmaijDS, D(norm sigma)= 0.0082976454
WabejDS, D(norm sigma)= 0.0039261191
WnmjeDS, D(norm sigma)= 0.0000917666
WbmfeDS, D(norm sigma)= -0.0001684735
Fbe_FDD , D(norm sigma)= 0.9684285885
Fmj_DD, D(norm sigma)= 4.9764382602
WmnijDD, D(norm sigma)= 0.9966917370
WabefDD, D(norm sigma)= 0.2329107383
WmbejDD, D(norm sigma)= -0.8706908706
WmnefDD XAF, D(norm sigma)= 0.0004620897
WmnefDD XLI, D(norm sigma)= 0.0000406766
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
15 -0.000007959081607 -0.000066669728574 0.044005955990932 -0.102169111676338 -0.276416001526821
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
15 -0.286245015931468 0.664049004080717 -0.199206256787556 -0.903580319417085 0.002890767471535
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
15 -0.915127965604039 0.557599462118828 -1.573457282685846 -0.749778459258034 1.869774900007625
15
0 -0.000325310060838
1 0.000300194038531
2 0.044012849348326
3 -0.102064631723647
4 -0.275489388156876
5 -0.286046661310643
6 0.662790758363578
7 -0.200852161702746
8 -0.901919822058093
9 0.001941214096067
10 -0.914034208718325
11 0.557702187531931
12 -1.572449232183695
13 -0.750308001946100
14 1.869879648332196
15 3.773891597667180
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002113495
Norm of residual vector 0 after precondition 0.0000002113495
1 0.3662871246 8.29e-12 2.11e-07 Y
Norm of residual vector 1 before precondition 0.0000021084715
Norm of residual vector 1 after precondition 0.0000021084715
2 0.4294574373 1.91e-09 2.11e-06 N
Norm of residual vector af preconditioning 0.0000006296367
Iter=21 L=17 resetting norm
SigmaSS, D(norm sigma)= 0.8574534588
FSD , D(norm sigma)= -0.0001162007
WamefSD, D(norm sigma)= 0.0051711800
WmnieSD, D(norm sigma)= 0.0605636775
WmaijDS, D(norm sigma)= 0.0079783537
WabejDS, D(norm sigma)= 0.0027006774
WnmjeDS, D(norm sigma)= 0.0001251095
WbmfeDS, D(norm sigma)= -0.0001815089
Fbe_FDD , D(norm sigma)= 0.9146301589
Fmj_DD, D(norm sigma)= 4.5850731410
WmnijDD, D(norm sigma)= 0.9221345326
WabefDD, D(norm sigma)= 0.2243367557
WmbejDD, D(norm sigma)= -0.8646261601
WmnefDD XAF, D(norm sigma)= 0.0005928797
WmnefDD XLI, D(norm sigma)= 0.0000600453
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
15 -0.000007959081607 -0.000066669728574 0.044005955990932 -0.102169111676338 -0.276416001526821
16 -0.000009286571435 -0.000051075762702 0.187456601736000 0.201631098929772 -0.454420043837303
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
15 -0.286245015931468 0.664049004080717 -0.199206256787556 -0.903580319417085 0.002890767471535
16 0.449311764487087 0.624257023770449 0.424135140471631 -0.791627188250097 -0.269457096410783
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
15 -0.915127965604039 0.557599462118828 -1.573457282685846 -0.749778459258034 1.869774900007625
16 -0.766185871731199 0.457926830650382 -0.883014643443394 -0.118495627691746 0.976027710765761
15 16
0 -0.000325310060838 0.000151210659225
1 0.000300194038531 0.000526747026064
2 0.044012849348326 0.187628874857290
3 -0.102064631723647 0.203535293420617
4 -0.275489388156876 -0.453214355316022
5 -0.286046661310643 0.449496841767774
6 0.662790758363578 0.624073347319577
7 -0.200852161702746 0.424189360869616
8 -0.901919822058093 -0.791792062202257
9 0.001941214096067 -0.271803993120441
10 -0.914034208718325 -0.767189523377675
11 0.557702187531931 0.456100994241879
12 -1.572449232183695 -0.883495254486797
13 -0.750308001946100 -0.118635929714648
14 1.869879648332196 0.976952727608293
15 3.773891597667180 1.969135933553557
16 1.967326248852661 3.246292419950849
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002185032
Norm of residual vector 0 after precondition 0.0000002185032
1 0.3662871246 1.20e-11 2.19e-07 Y
Norm of residual vector 1 before precondition 0.0000018077656
Norm of residual vector 1 after precondition 0.0000018077656
2 0.4294574363 -1.00e-09 1.81e-06 N
Norm of residual vector af preconditioning 0.0000005214155
Iter=22 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.8273190042
FSD , D(norm sigma)= -0.0001264298
WamefSD, D(norm sigma)= 0.0273156050
WmnieSD, D(norm sigma)= 0.0530453265
WmaijDS, D(norm sigma)= 0.0077029162
WabejDS, D(norm sigma)= 0.0049578223
WnmjeDS, D(norm sigma)= 0.0001450935
WbmfeDS, D(norm sigma)= -0.0002412395
Fbe_FDD , D(norm sigma)= 1.0730957721
Fmj_DD, D(norm sigma)= 5.8483974127
WmnijDD, D(norm sigma)= 1.1202803044
WabefDD, D(norm sigma)= 0.2780091046
WmbejDD, D(norm sigma)= -0.8869144417
WmnefDD XAF, D(norm sigma)= 0.0004602464
WmnefDD XLI, D(norm sigma)= 0.0000964766
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
15 -0.000007959081607 -0.000066669728574 0.044005955990932 -0.102169111676338 -0.276416001526821
16 -0.000009286571435 -0.000051075762702 0.187456601736000 0.201631098929772 -0.454420043837303
17 0.000001342106442 -0.000001100972191 -0.180778609118706 -0.247651856770131 0.128523384158658
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
15 -0.286245015931468 0.664049004080717 -0.199206256787556 -0.903580319417085 0.002890767471535
16 0.449311764487087 0.624257023770449 0.424135140471631 -0.791627188250097 -0.269457096410783
17 -0.412003483385798 0.386462690590648 -0.268168936434229 -0.798723598143009 0.101539753425610
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
15 -0.915127965604039 0.557599462118828 -1.573457282685846 -0.749778459258034 1.869774900007625
16 -0.766185871731199 0.457926830650382 -0.883014643443394 -0.118495627691746 0.976027710765761
17 -0.975887064062265 0.045279587510967 -1.180072344373103 -0.112454569549883 1.014618511541738
15 16 17
0 -0.000325310060838 0.000151210659225 0.000392599653555
1 0.000300194038531 0.000526747026064 -0.000210001541693
2 0.044012849348326 0.187628874857290 -0.179638005553282
3 -0.102064631723647 0.203535293420617 -0.246735040014632
4 -0.275489388156876 -0.453214355316022 0.127891027414912
5 -0.286046661310643 0.449496841767774 -0.410263317460348
6 0.662790758363578 0.624073347319577 0.386033339105606
7 -0.200852161702746 0.424189360869616 -0.266544317468946
8 -0.901919822058093 -0.791792062202257 -0.797882728136575
9 0.001941214096067 -0.271803993120441 0.100414841403465
10 -0.914034208718325 -0.767189523377675 -0.976006303459971
11 0.557702187531931 0.456100994241879 0.044995198439102
12 -1.572449232183695 -0.883495254486797 -1.179821980729339
13 -0.750308001946100 -0.118635929714648 -0.110464506733582
14 1.869879648332196 0.976952727608293 1.015988887890202
15 3.773891597667180 1.969135933553557 1.823952728198533
16 1.967326248852661 3.246292419950849 2.235919354309358
17 1.824125586655603 2.234725648796478 4.234648503498208
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002044958
Norm of residual vector 0 after precondition 0.0000002044958
1 0.3662871246 -3.59e-11 2.04e-07 Y
Norm of residual vector 1 before precondition 0.0000015166106
Norm of residual vector 1 after precondition 0.0000015166106
2 0.4294574354 -9.21e-10 1.52e-06 N
Norm of residual vector af preconditioning 0.0000004282455
Iter=23 L=19 resetting norm
SigmaSS, D(norm sigma)= 0.8152671131
FSD , D(norm sigma)= -0.0000033839
WamefSD, D(norm sigma)= 0.0132349030
WmnieSD, D(norm sigma)= 0.0273830214
WmaijDS, D(norm sigma)= 0.0108508500
WabejDS, D(norm sigma)= 0.0065404736
WnmjeDS, D(norm sigma)= 0.0001019104
WbmfeDS, D(norm sigma)= -0.0002783952
Fbe_FDD , D(norm sigma)= 1.1093436826
Fmj_DD, D(norm sigma)= 5.6750951127
WmnijDD, D(norm sigma)= 1.0935178931
WabefDD, D(norm sigma)= 0.2683266914
WmbejDD, D(norm sigma)= -0.8169084907
WmnefDD XAF, D(norm sigma)= 0.0003506864
WmnefDD XLI, D(norm sigma)= 0.0000772165
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
15 -0.000007959081607 -0.000066669728574 0.044005955990932 -0.102169111676338 -0.276416001526821
16 -0.000009286571435 -0.000051075762702 0.187456601736000 0.201631098929772 -0.454420043837303
17 0.000001342106442 -0.000001100972191 -0.180778609118706 -0.247651856770131 0.128523384158658
18 0.000007717605420 0.000043951170544 -0.205949735185859 -0.187381514558756 0.384065575340544
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
15 -0.286245015931468 0.664049004080717 -0.199206256787556 -0.903580319417085 0.002890767471535
16 0.449311764487087 0.624257023770449 0.424135140471631 -0.791627188250097 -0.269457096410783
17 -0.412003483385798 0.386462690590648 -0.268168936434229 -0.798723598143009 0.101539753425610
18 -0.352439009018792 -0.350360980869046 -0.327460322522067 0.411915209639650 0.285616607364919
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
15 -0.915127965604039 0.557599462118828 -1.573457282685846 -0.749778459258034 1.869774900007625
16 -0.766185871731199 0.457926830650382 -0.883014643443394 -0.118495627691746 0.976027710765761
17 -0.975887064062265 0.045279587510967 -1.180072344373103 -0.112454569549883 1.014618511541738
18 0.551216921536847 -0.569634224932433 0.901105104390379 0.527375778391244 -0.587059173677187
15 16 17 18
0 -0.000325310060838 0.000151210659225 0.000392599653555 -0.000149107415484
1 0.000300194038531 0.000526747026064 -0.000210001541693 -0.002524224988226
2 0.044012849348326 0.187628874857290 -0.179638005553282 -0.204618503140844
3 -0.102064631723647 0.203535293420617 -0.246735040014632 -0.186019064321140
4 -0.275489388156876 -0.453214355316022 0.127891027414912 0.385090116000896
5 -0.286046661310643 0.449496841767774 -0.410263317460348 -0.347649158795958
6 0.662790758363578 0.624073347319577 0.386033339105606 -0.348425679983852
7 -0.200852161702746 0.424189360869616 -0.266544317468946 -0.325761427601562
8 -0.901919822058093 -0.791792062202257 -0.797882728136575 0.409702959739180
9 0.001941214096067 -0.271803993120441 0.100414841403465 0.284857177846050
10 -0.914034208718325 -0.767189523377675 -0.976006303459971 0.549608771994174
11 0.557702187531931 0.456100994241879 0.044995198439102 -0.571078432558345
12 -1.572449232183695 -0.883495254486797 -1.179821980729339 0.899473641980694
13 -0.750308001946100 -0.118635929714648 -0.110464506733582 0.530588139081774
14 1.869879648332196 0.976952727608293 1.015988887890202 -0.584146850522536
15 3.773891597667180 1.969135933553557 1.823952728198533 -0.930522200490087
16 1.967326248852661 3.246292419950849 2.235919354309358 -1.436513689545779
17 1.824125586655603 2.234725648796478 4.234648503498208 -2.497887683032113
18 -0.930089004397743 -1.438866522098653 -2.497873867180926 4.066727061084545
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000001904103
Norm of residual vector 0 after precondition 0.0000001904103
1 0.3662871245 -1.65e-11 1.90e-07 Y
Norm of residual vector 1 before precondition 0.0000011227101
Norm of residual vector 1 after precondition 0.0000011227101
2 0.4294574327 -2.66e-09 1.12e-06 N
Norm of residual vector af preconditioning 0.0000003355825
Iter=24 L=20 resetting norm
SigmaSS, D(norm sigma)= 0.7025389112
FSD , D(norm sigma)= -0.0000814625
WamefSD, D(norm sigma)= 0.0041630071
WmnieSD, D(norm sigma)= 0.0458898189
WmaijDS, D(norm sigma)= 0.0131854149
WabejDS, D(norm sigma)= 0.0099568900
WnmjeDS, D(norm sigma)= 0.0000323365
WbmfeDS, D(norm sigma)= 0.0001961475
Fbe_FDD , D(norm sigma)= 1.2048375388
Fmj_DD, D(norm sigma)= 7.6124850869
WmnijDD, D(norm sigma)= 1.3721072115
WabefDD, D(norm sigma)= 0.3108020230
WmbejDD, D(norm sigma)= -0.8483309295
WmnefDD XAF, D(norm sigma)= 0.0002024550
WmnefDD XLI, D(norm sigma)= 0.0000721832
resetting norm
The G Matrix
0 1 2 3 4
0 0.366287078187855 -0.000115376514811 0.001119331564372 0.000485448820172 -0.002212352317069
1 0.000000000000000 0.429456644721112 0.000338089610060 -0.000367985458868 -0.001306654276043
2 0.000000000000641 0.000000000000000 1.190281751759054 0.193235091504106 -0.695636145644117
3 0.000000000001704 0.000000000000048 0.192763693090294 0.775141927894300 -0.197064123375397
4 0.000070727468414 0.000468653162747 -0.695072044487350 -0.198401166887664 2.457930578606712
5 -0.000011704357018 0.000021966939146 0.142671636222650 0.355327010487432 -0.494999707633712
6 -0.000034219939838 -0.000231770412485 0.274448432563997 0.014471675694234 -1.515250183393616
7 -0.000005960347177 0.000005185928088 0.221316752628748 0.167112974645666 -0.466614902930106
8 0.000010636313321 0.000080656951458 -0.115726730485228 -0.013557973025866 0.583637055365879
9 0.000009320299691 0.000044236453510 -0.024449163766642 -0.021930640682573 0.242721040150742
10 0.000003815312366 0.000025812635622 -0.009562789902913 -0.026662982770964 0.199503395346979
11 -0.000009527224702 -0.000057282054246 0.237734152764535 0.067032790191144 -0.516145279651393
12 0.000014446583049 0.000097937913485 -0.224279041974309 -0.088256068648380 0.611674583389081
13 0.000005816613991 0.000018651684879 -0.037752643968492 -0.155051433748165 0.253883546009667
14 -0.000001998976345 -0.000017938997125 -0.028716692314983 0.017652458459962 -0.095516379922756
15 -0.000007959081607 -0.000066669728574 0.044005955990932 -0.102169111676338 -0.276416001526821
16 -0.000009286571435 -0.000051075762702 0.187456601736000 0.201631098929772 -0.454420043837303
17 0.000001342106442 -0.000001100972191 -0.180778609118706 -0.247651856770131 0.128523384158658
18 0.000007717605420 0.000043951170544 -0.205949735185859 -0.187381514558756 0.384065575340544
19 0.000000326973572 0.000014379354683 -0.052734595395805 -0.001253236659491 0.010254302920370
5 6 7 8 9
0 -0.000622666704334 0.001177608205276 -0.001261249975809 0.002271358521743 0.002701485118935
1 -0.001680046581953 -0.001989798588629 -0.002222683083393 0.002575316408751 -0.001772625335410
2 0.145664146445167 0.272705770753015 0.221584122338080 -0.116144675334875 -0.023940540060413
3 0.353788547156442 0.014082507645550 0.164768391703663 -0.013379645991330 -0.021371659803542
4 -0.494875125010863 -1.514786231574716 -0.465294992608276 0.583826822422977 0.242299168607122
5 2.419947265162707 0.252929678265322 1.391891490808830 0.102764048854421 -0.660539433447558
6 0.254346213648579 3.429523532725766 0.616759718324519 -1.977434012333700 -0.280898708555078
7 1.393082004411643 0.616627910971035 3.197683233618955 -0.105915021603920 -1.771444779439399
8 0.102936818373533 -1.977475538587366 -0.106425913109160 3.778240644077753 0.197068580110622
9 -0.663525737169597 -0.279257778924267 -1.770937919472776 0.198279148722639 2.990307100098853
10 -0.029256568003064 -0.775463766777765 -0.014408451718580 2.020681924736152 0.152117180022181
11 0.268143598332925 0.792823801475626 0.913736871752723 -0.763809008775315 -1.772269392010487
12 -0.193140639952283 -0.963897958714635 -0.389866097544051 1.412436006280783 0.390134925151678
13 -0.553141045571389 -0.442064052754617 -0.523450047770509 0.479381476696919 0.573291103638417
14 -0.010983022337783 0.395660218179498 0.115570787501450 -0.533057713709131 -0.222043497214939
15 -0.286245015931468 0.664049004080717 -0.199206256787556 -0.903580319417085 0.002890767471535
16 0.449311764487087 0.624257023770449 0.424135140471631 -0.791627188250097 -0.269457096410783
17 -0.412003483385798 0.386462690590648 -0.268168936434229 -0.798723598143009 0.101539753425610
18 -0.352439009018792 -0.350360980869046 -0.327460322522067 0.411915209639650 0.285616607364919
19 0.240175894980222 0.176277344353926 0.344734152374550 -0.448481220248096 -0.267435563002246
10 11 12 13 14
0 -0.000564695585369 -0.002617026067433 0.002444283912125 0.000448898186917 -0.001884369169848
1 0.001904956573854 0.003260412604733 0.001184052217531 -0.000696896129063 -0.001299054251258
2 -0.010733374310315 0.237249881305684 -0.225023861296218 -0.036621306581772 -0.026360566118164
3 -0.025457327023958 0.067660969342651 -0.085098935233662 -0.157868658287010 0.018203818307016
4 0.198869388776093 -0.517328441855559 0.610810861548978 0.254696709500783 -0.095825806665930
5 -0.028872415168672 0.268390027948162 -0.194096722914250 -0.553047127621015 -0.011784197904969
6 -0.774838385337396 0.795185844316637 -0.964169168451301 -0.441894413972914 0.395723176149705
7 -0.013118365641251 0.916441781590764 -0.389502697211482 -0.524276233251010 0.113595068358001
8 2.019429306104502 -0.763430016452645 1.415173311330601 0.477612634770211 -0.533383200324197
9 0.152767573040735 -1.771050571721052 0.390752409933799 0.572173851852871 -0.224051306329968
10 3.418905759268714 -0.595680208774241 2.314183779491522 0.470064672857287 -0.838273814421278
11 -0.594843494453985 3.212018019234850 -0.928390452451233 -1.454941622244821 0.307181585545976
12 2.312809947219259 -0.928306765230408 4.054394988744582 0.922242917947547 -1.862762971850113
13 0.469007304031630 -1.453245471765725 0.923060359110402 2.661422595042262 0.089092890643337
14 -0.837868077779725 0.306683486349099 -1.863705734488275 0.089235598422813 2.872332111728066
15 -0.915127965604039 0.557599462118828 -1.573457282685846 -0.749778459258034 1.869774900007625
16 -0.766185871731199 0.457926830650382 -0.883014643443394 -0.118495627691746 0.976027710765761
17 -0.975887064062265 0.045279587510967 -1.180072344373103 -0.112454569549883 1.014618511541738
18 0.551216921536847 -0.569634224932433 0.901105104390379 0.527375778391244 -0.587059173677187
19 -0.740671258127094 0.076319423586214 -1.057975748193749 0.038206573672283 1.144788226470334
15 16 17 18 19
0 -0.000325310060838 0.000151210659225 0.000392599653555 -0.000149107415484 -0.001792447195361
1 0.000300194038531 0.000526747026064 -0.000210001541693 -0.002524224988226 -0.000717042525563
2 0.044012849348326 0.187628874857290 -0.179638005553282 -0.204618503140844 -0.052208003195638
3 -0.102064631723647 0.203535293420617 -0.246735040014632 -0.186019064321140 0.000354752780376
4 -0.275489388156876 -0.453214355316022 0.127891027414912 0.385090116000896 0.010951659649759
5 -0.286046661310643 0.449496841767774 -0.410263317460348 -0.347649158795958 0.242347798358174
6 0.662790758363578 0.624073347319577 0.386033339105606 -0.348425679983852 0.177689305530180
7 -0.200852161702746 0.424189360869616 -0.266544317468946 -0.325761427601562 0.347791077196047
8 -0.901919822058093 -0.791792062202257 -0.797882728136575 0.409702959739180 -0.449576164501405
9 0.001941214096067 -0.271803993120441 0.100414841403465 0.284857177846050 -0.268575860592346
10 -0.914034208718325 -0.767189523377675 -0.976006303459971 0.549608771994174 -0.742030309879610
11 0.557702187531931 0.456100994241879 0.044995198439102 -0.571078432558345 0.075920872909490
12 -1.572449232183695 -0.883495254486797 -1.179821980729339 0.899473641980694 -1.059287405831459
13 -0.750308001946100 -0.118635929714648 -0.110464506733582 0.530588139081774 0.040688683753695
14 1.869879648332196 0.976952727608293 1.015988887890202 -0.584146850522536 1.146122279267437
15 3.773891597667180 1.969135933553557 1.823952728198533 -0.930522200490087 1.294882427788489
16 1.967326248852661 3.246292419950849 2.235919354309358 -1.436513689545779 1.479702373338323
17 1.824125586655603 2.234725648796478 4.234648503498208 -2.497887683032113 2.299110161231104
18 -0.930089004397743 -1.438866522098653 -2.497873867180926 4.066727061084545 -3.333949327104626
19 1.294816510147730 1.479603338406325 2.298263732561758 -3.334621096885772 5.445726070464528
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000001881103
Norm of residual vector 0 after precondition 0.0000001881103
1 0.3662871245 8.92e-12 1.88e-07 Y
Norm of residual vector 1 before precondition 0.0000006982254
Norm of residual vector 1 after precondition 0.0000006982254
2 0.4294574306 -2.13e-09 6.98e-07 Y
Collapsing to only 2 vector(s).
alpha
1 2 3 4 5 6 7 8 9 10
1 -1.0000000 -0.0018210 -0.0003162 0.0044097 0.0005593 -0.0010007 -0.0041629 0.0007543 0.0008760 -0.0016760
2 0.0000015 0.9999981 -0.0190814 -0.0058791 -0.0004265 -0.0022244 -0.0003424 0.0014792 0.0005930 0.0003963
3 0.0000456 -0.0004087 -0.1164272 0.3148903 0.5018678 0.3511546 0.0361102 -0.1456841 -0.4931955 -0.1547252
4 0.0000056 0.0000557 0.6550537 0.3483041 -0.0441237 -0.5384108 -0.0053145 -0.1292574 -0.1713895 0.2005681
5 0.0000619 -0.0004933 -0.0538068 -0.0089759 0.4522413 -0.0569054 -0.1108280 -0.3886538 -0.1341496 0.2099995
6 0.0000034 -0.0001144 0.1148117 -0.1164453 0.2591886 0.3086274 0.0740663 0.2371886 0.2334963 0.3939686
7 0.0000188 -0.0001690 -0.0372837 0.1177517 0.3267949 -0.1376441 -0.2008474 -0.2442658 0.2867913 0.0698699
8 -0.0000013 0.0000488 0.0802892 -0.0695809 -0.2808358 0.0639683 -0.2471365 -0.2164578 -0.3413413 -0.3486598
9 0.0000059 -0.0000576 -0.0109529 0.1266334 0.1450830 -0.0664087 -0.3109387 -0.1620039 0.4173446 -0.1741485
10 -0.0000001 0.0000196 0.1137092 -0.1498799 -0.2954160 0.2980445 -0.2427685 -0.4172498 -0.1055349 0.0651540
11 -0.0000022 0.0000246 0.0411882 -0.2105798 -0.0077578 -0.0160060 0.5044785 -0.1245990 -0.2530663 0.2165831
12 0.0000001 0.0000097 0.2331593 -0.1699561 -0.1202592 0.3234889 -0.1505490 -0.3047926 0.1374662 0.2601485
13 0.0000008 -0.0000109 -0.0393516 0.3263850 -0.1238591 0.1369514 -0.3909558 0.2327606 0.0032125 0.0540308
14 -0.0000001 0.0000089 0.2624077 -0.3840241 0.1480744 0.0649463 -0.1346705 -0.0288582 0.0360760 0.1210753
15 0.0000003 -0.0000080 -0.2119791 0.3477183 -0.2359429 0.0996776 -0.1651969 0.0989223 -0.1486024 0.4804194
16 -0.0000000 0.0000052 0.2500916 -0.2635835 0.2249063 -0.0244454 -0.1834929 0.2463342 -0.0692024 -0.3211243
17 -0.0000001 -0.0000049 -0.3751180 -0.0245091 -0.1235899 -0.2262526 0.1486750 -0.3732744 0.1498334 0.0471326
18 0.0000001 0.0000032 0.3078108 0.2544844 -0.0100090 0.2975619 0.1282342 0.1194694 0.0238928 0.0194287
19 0.0000000 0.0000018 0.2101461 0.3194168 -0.0723809 0.2787355 0.3604127 -0.1857927 0.3002307 -0.2426025
20 0.0000000 0.0000006 0.0803280 0.1536955 -0.0429171 0.1272623 0.2151620 -0.1608347 0.2156536 -0.2189924
11 12 13 14 15 16 17 18 19 20
1 0.0000891 -0.0008382 0.0009357 -0.0006155 -0.0000340 0.0006763 0.0007715 0.0002384 0.0002278 -0.0001718
2 0.0015935 -0.0016314 -0.0005170 -0.0009664 0.0013799 0.0003867 -0.0003930 -0.0004284 0.0001310 -0.0000542
3 0.3108960 -0.2327745 0.0346205 -0.1942933 -0.0780701 0.0952496 0.1049694 -0.0305037 -0.0740980 0.0237504
4 0.2013588 0.0159087 0.1411082 -0.0911136 -0.0754644 0.0115839 0.0286089 -0.0504001 -0.0377173 0.0087476
5 -0.1770210 0.3360962 0.0325693 0.3734693 0.1643301 -0.2745139 -0.3428972 0.0265735 0.2214868 -0.0933186
6 0.0378552 0.2626423 0.4737184 -0.0178790 -0.3447162 0.0393321 0.0464895 -0.3031656 -0.1693671 0.0399927
7 -0.3801857 0.0882071 -0.2476333 -0.0544426 -0.0188813 0.2354623 0.4950783 0.1244232 -0.3183940 0.1857874
8 -0.2863236 0.0619927 0.0664871 0.2983019 -0.3029184 0.0430347 -0.0323980 -0.4353283 -0.2933071 0.0792500
9 -0.1277531 -0.3175290 0.0627511 -0.3254781 -0.1539095 0.1563842 -0.3539612 -0.3138581 0.2685647 -0.2460467
10 -0.0608196 0.1809368 0.3028616 -0.3307987 -0.0820967 0.0401581 0.2194804 0.3809096 0.2920729 -0.0877819
11 -0.2620393 0.0955924 -0.2643385 -0.1954580 0.0542527 0.4429678 0.0188133 -0.2989841 0.1698726 -0.2614831
12 0.2564221 -0.1367804 -0.2272914 -0.0961240 0.4561025 -0.0165491 -0.2056875 -0.2037323 -0.3565641 0.1540693
13 0.2195818 0.3021239 -0.1007072 0.2512321 0.2754074 0.2898739 0.2615970 -0.2268487 0.2019663 -0.3388818
14 0.2308813 -0.3479681 -0.3324611 0.3971215 -0.4031724 0.0455032 0.1809593 0.1023525 0.2380520 -0.1136838
15 -0.0921223 0.0241548 -0.3316983 -0.0652838 -0.3881862 0.0972561 -0.3447957 0.1477964 0.0185604 0.2407229
16 0.0951710 0.3590050 -0.0924411 -0.1170599 0.0323870 0.4379766 -0.3299894 0.2008479 0.0562723 0.3252033
17 0.3663940 -0.0482096 0.2895858 0.2810953 -0.0200382 0.4494020 -0.0189525 -0.0349782 0.0888184 0.3069837
18 -0.4058720 -0.3418639 0.2001719 0.2788593 0.2588118 0.1515732 0.0195952 0.0301277 0.3156634 0.3665635
19 0.0465750 0.1604491 -0.0832599 0.2238179 -0.1687166 0.1437254 -0.2174907 0.3163352 -0.2541234 -0.3446200
20 0.1698670 0.3222066 -0.3168196 -0.1171890 -0.1512372 -0.3178947 0.1707252 -0.3132175 0.3760747 0.3860808
alpha_old
1 2 3 4 5 6 7 8 9 10
1 -1.0000000 -0.0018210 -0.0001011 0.0053616 -0.0009550 0.0011489 0.0026473 -0.0020715 0.0007162 0.0014064
2 0.0000015 0.9999981 0.0103358 -0.0040017 -0.0000365 -0.0020747 -0.0001431 -0.0015639 -0.0004357 -0.0004990
3 0.0000456 -0.0004087 0.1487618 0.3466568 0.4680188 0.3345610 -0.0892017 0.3626753 0.4092764 -0.0757338
4 0.0000056 0.0000547 -0.6443881 0.4743091 -0.2097060 -0.4101343 0.0425742 0.2096150 -0.0230984 -0.2301082
5 0.0000619 -0.0004931 0.0387081 0.1193285 0.4258609 -0.0754994 0.2782602 0.3411420 -0.0650087 -0.1676439
6 0.0000034 -0.0001145 -0.1220379 -0.0899756 0.3084943 0.2573767 -0.2133915 -0.1641798 -0.4092899 -0.2073797
7 0.0000188 -0.0001689 0.0376683 0.2205308 0.2687792 -0.1109059 0.3487634 0.0030570 -0.2628386 0.1692969
8 -0.0000013 0.0000487 -0.0892787 -0.1123894 -0.2656105 0.1366616 0.2621400 0.1925148 0.4555006 0.1991374
9 0.0000059 -0.0000576 0.0153316 0.1822011 0.0952166 -0.0007762 0.4090176 -0.1718060 -0.1947328 0.3969087
10 -0.0000001 0.0000194 -0.1121445 -0.2528315 -0.2229244 0.3215600 0.3383276 0.3417148 -0.0113623 -0.0202260
11 -0.0000022 0.0000245 -0.0428212 -0.2545178 0.0666537 -0.1834312 -0.3813271 0.4029160 -0.0362861 -0.0610453
12 0.0000001 0.0000093 -0.2299109 -0.2383821 -0.0431138 0.3076807 0.2326394 0.2102258 -0.3026391 -0.1297384
13 0.0000008 -0.0000109 0.0572766 0.3096720 -0.2011350 0.3184650 0.1412997 -0.2776566 0.0474275 -0.2976261
14 -0.0000001 0.0000087 -0.3070784 -0.2948697 0.2096333 0.0411466 0.1460017 -0.0409450 -0.0756542 -0.1572909
15 0.0000003 -0.0000077 0.2281499 0.2902950 -0.3077651 0.2473769 -0.0543299 0.0795034 -0.1964926 -0.3770427
16 -0.0000000 0.0000050 -0.2888647 -0.1387210 0.2423767 -0.0089030 0.0899196 -0.3415574 0.3584275 -0.0871057
17 -0.0000001 -0.0000044 0.3813707 -0.0826823 -0.1085783 -0.3038905 0.1393036 0.2524940 -0.1928268 0.0364294
18 0.0000001 0.0000026 -0.2781092 0.2067814 -0.0321424 0.3246436 -0.2969122 0.0806845 -0.1311563 0.4405001
19 0.0000000 0.0000009 -0.1156741 0.1285852 -0.0437142 0.1519451 -0.1890277 0.1388517 -0.1524976 0.4061311
11 12 13 14 15 16 17 18 19
1 -0.0008616 0.0003031 0.0008453 -0.0000016 -0.0002960 -0.0009527 0.0000730 -0.0003200 -0.0001683
2 -0.0019702 -0.0011538 0.0007220 -0.0013690 0.0006145 0.0001331 -0.0006820 -0.0000196 -0.0000645
3 -0.3629858 -0.1003111 0.2033785 0.0022422 -0.1090783 -0.1196915 0.0007949 0.0763398 0.0338475
4 -0.1402885 0.0984152 0.1316963 0.0762897 -0.0427162 -0.0324718 -0.0314206 0.0532002 0.0116216
5 0.3274985 0.2186254 -0.3523158 0.0618044 0.2881874 0.3743378 -0.0722079 -0.2041353 -0.1254315
6 0.0691754 0.4456051 0.1685184 0.3735737 -0.1908517 -0.0680135 -0.2129076 0.2716342 0.0456106
7 0.3696366 -0.1462365 -0.0370201 -0.1692311 -0.1772696 -0.4914922 0.2691921 0.2286127 0.2399704
8 0.2470563 0.0570331 -0.2341704 0.3125602 -0.1846847 0.0042559 -0.2973249 0.4317140 0.0952284
9 -0.1008030 -0.1688841 0.3434165 0.0052655 -0.2214144 0.2630785 -0.4315022 -0.1035342 -0.3044219
10 0.1035332 0.2753775 0.3912445 0.0448168 -0.0671408 -0.1989188 0.2719312 -0.4023375 -0.1091708
11 0.3125210 -0.1500590 0.0690431 -0.3617688 -0.2914494 -0.1523518 -0.3478778 -0.0096648 -0.3074815
12 -0.2607369 -0.1673529 -0.0150474 -0.4413815 0.2555968 0.1846577 -0.1118483 0.3741792 0.2016464
13 -0.0196044 0.1953994 -0.3264959 -0.3016282 0.0202456 -0.3569773 -0.2331644 -0.0437162 -0.3916649
14 -0.2645766 -0.4409452 -0.4087017 0.3303711 -0.2671457 -0.1646927 0.0624219 -0.2289935 -0.1507665
15 0.2331790 -0.3041328 -0.0138176 0.0755425 -0.4088248 0.3400463 0.0411518 -0.1232390 0.2567456
16 0.0714700 0.2294864 -0.0037243 -0.4072315 -0.3665617 0.2100271 -0.0245037 -0.2182105 0.3525987
17 -0.4391196 0.3310506 -0.2224049 -0.0336385 -0.2458389 -0.1492127 -0.2498745 -0.1556240 0.3172789
18 0.0984993 -0.0537196 -0.1824838 0.0185187 0.2040458 -0.1553930 -0.2814577 -0.3985944 0.3498027
19 -0.1411385 0.2532151 -0.3161561 -0.1535869 -0.3494415 0.2673612 0.4378585 0.1558759 -0.2916343
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 -1.0000000 -0.0018210 -0.0003162 0.0044097 0.0005593 -0.0010007 -0.0041629 0.0007543 0.0008760 -0.0016760
2 0.0000015 0.9999981 -0.0190814 -0.0058791 -0.0004265 -0.0022244 -0.0003424 0.0014792 0.0005930 0.0003963
3 0.0000456 -0.0004087 -0.1164272 0.3148903 0.5018678 0.3511546 0.0361102 -0.1456841 -0.4931955 -0.1547252
4 0.0000056 0.0000557 0.6550537 0.3483041 -0.0441237 -0.5384108 -0.0053145 -0.1292574 -0.1713895 0.2005681
5 0.0000619 -0.0004933 -0.0538068 -0.0089759 0.4522413 -0.0569054 -0.1108280 -0.3886538 -0.1341496 0.2099995
6 0.0000034 -0.0001144 0.1148117 -0.1164453 0.2591886 0.3086274 0.0740663 0.2371886 0.2334963 0.3939686
7 0.0000188 -0.0001690 -0.0372837 0.1177517 0.3267949 -0.1376441 -0.2008474 -0.2442658 0.2867913 0.0698699
8 -0.0000013 0.0000488 0.0802892 -0.0695809 -0.2808358 0.0639683 -0.2471365 -0.2164578 -0.3413413 -0.3486598
9 0.0000059 -0.0000576 -0.0109529 0.1266334 0.1450830 -0.0664087 -0.3109387 -0.1620039 0.4173446 -0.1741485
10 -0.0000001 0.0000196 0.1137092 -0.1498799 -0.2954160 0.2980445 -0.2427685 -0.4172498 -0.1055349 0.0651540
11 -0.0000022 0.0000246 0.0411882 -0.2105798 -0.0077578 -0.0160060 0.5044785 -0.1245990 -0.2530663 0.2165831
12 0.0000001 0.0000097 0.2331593 -0.1699561 -0.1202592 0.3234889 -0.1505490 -0.3047926 0.1374662 0.2601485
13 0.0000008 -0.0000109 -0.0393516 0.3263850 -0.1238591 0.1369514 -0.3909558 0.2327606 0.0032125 0.0540308
14 -0.0000001 0.0000089 0.2624077 -0.3840241 0.1480744 0.0649463 -0.1346705 -0.0288582 0.0360760 0.1210753
15 0.0000003 -0.0000080 -0.2119791 0.3477183 -0.2359429 0.0996776 -0.1651969 0.0989223 -0.1486024 0.4804194
16 -0.0000000 0.0000052 0.2500916 -0.2635835 0.2249063 -0.0244454 -0.1834929 0.2463342 -0.0692024 -0.3211243
17 -0.0000001 -0.0000049 -0.3751180 -0.0245091 -0.1235899 -0.2262526 0.1486750 -0.3732744 0.1498334 0.0471326
18 0.0000001 0.0000032 0.3078108 0.2544844 -0.0100090 0.2975619 0.1282342 0.1194694 0.0238928 0.0194287
19 0.0000000 0.0000018 0.2101461 0.3194168 -0.0723809 0.2787355 0.3604127 -0.1857927 0.3002307 -0.2426025
20 0.0000000 0.0000006 0.0803280 0.1536955 -0.0429171 0.1272623 0.2151620 -0.1608347 0.2156536 -0.2189924
11 12 13 14 15 16 17 18 19 20
1 0.0000891 -0.0008382 0.0009357 -0.0006155 -0.0000340 0.0006763 0.0007715 0.0002384 0.0002278 -0.0001718
2 0.0015935 -0.0016314 -0.0005170 -0.0009664 0.0013799 0.0003867 -0.0003930 -0.0004284 0.0001310 -0.0000542
3 0.3108960 -0.2327745 0.0346205 -0.1942933 -0.0780701 0.0952496 0.1049694 -0.0305037 -0.0740980 0.0237504
4 0.2013588 0.0159087 0.1411082 -0.0911136 -0.0754644 0.0115839 0.0286089 -0.0504001 -0.0377173 0.0087476
5 -0.1770210 0.3360962 0.0325693 0.3734693 0.1643301 -0.2745139 -0.3428972 0.0265735 0.2214868 -0.0933186
6 0.0378552 0.2626423 0.4737184 -0.0178790 -0.3447162 0.0393321 0.0464895 -0.3031656 -0.1693671 0.0399927
7 -0.3801857 0.0882071 -0.2476333 -0.0544426 -0.0188813 0.2354623 0.4950783 0.1244232 -0.3183940 0.1857874
8 -0.2863236 0.0619927 0.0664871 0.2983019 -0.3029184 0.0430347 -0.0323980 -0.4353283 -0.2933071 0.0792500
9 -0.1277531 -0.3175290 0.0627511 -0.3254781 -0.1539095 0.1563842 -0.3539612 -0.3138581 0.2685647 -0.2460467
10 -0.0608196 0.1809368 0.3028616 -0.3307987 -0.0820967 0.0401581 0.2194804 0.3809096 0.2920729 -0.0877819
11 -0.2620393 0.0955924 -0.2643385 -0.1954580 0.0542527 0.4429678 0.0188133 -0.2989841 0.1698726 -0.2614831
12 0.2564221 -0.1367804 -0.2272914 -0.0961240 0.4561025 -0.0165491 -0.2056875 -0.2037323 -0.3565641 0.1540693
13 0.2195818 0.3021239 -0.1007072 0.2512321 0.2754074 0.2898739 0.2615970 -0.2268487 0.2019663 -0.3388818
14 0.2308813 -0.3479681 -0.3324611 0.3971215 -0.4031724 0.0455032 0.1809593 0.1023525 0.2380520 -0.1136838
15 -0.0921223 0.0241548 -0.3316983 -0.0652838 -0.3881862 0.0972561 -0.3447957 0.1477964 0.0185604 0.2407229
16 0.0951710 0.3590050 -0.0924411 -0.1170599 0.0323870 0.4379766 -0.3299894 0.2008479 0.0562723 0.3252033
17 0.3663940 -0.0482096 0.2895858 0.2810953 -0.0200382 0.4494020 -0.0189525 -0.0349782 0.0888184 0.3069837
18 -0.4058720 -0.3418639 0.2001719 0.2788593 0.2588118 0.1515732 0.0195952 0.0301277 0.3156634 0.3665635
19 0.0465750 0.1604491 -0.0832599 0.2238179 -0.1687166 0.1437254 -0.2174907 0.3163352 -0.2541234 -0.3446200
20 0.1698670 0.3222066 -0.3168196 -0.1171890 -0.1512372 -0.3178947 0.1707252 -0.3132175 0.3760747 0.3860808
Procedure converged for 2 root(s).
<R|R> = 0.9999999999999997
EOM CCSD R0 for root 0 = -0.00267448514
<R|R> = 1.0000000000000007
EOM CCSD R0 for root 1 = 0.03155817272
Final Energetic Summary for Converged Roots of Irrep B1
Excitation Energy Total Energy
(eV) (cm^-1) (au) (au)
EOM State 1 9.967 80390.7 0.3662871245 -38.6664604477
Largest components of excited wave function #1:
RIA alpha
2 0 -0.9425967027
2 3 0.0925607911
2 2 -0.0899831282
4 13 -0.0429588344
3 10 -0.0253285261
Ria beta
2 15 -0.0944759267
1 1 0.0507113189
1 0 -0.0484833029
2 17 -0.0304946910
1 3 0.0235049165
RIJAB alpha
3 2 10 0 0.0632913513
4 2 13 0 -0.0408683659
4 2 15 0 -0.0388942132
2 1 3 0 -0.0318221280
4 2 13 2 0.0211331703
Rijab beta
2 1 15 1 -0.0048231684
2 1 15 0 0.0038988198
2 1 15 3 -0.0021698122
2 1 17 0 0.0016861417
2 1 15 4 -0.0015081548
RIjAb alpha,beta
2 1 0 0 0.1272600363
2 2 0 15 0.0805671319
1 1 0 0 -0.0780327509
2 2 13 0 0.0696467909
4 2 0 0 -0.0601536163
EOM State 2 11.686 94255.0 0.4294574306 -38.6032901417
Largest components of excited wave function #2:
RIA alpha
4 13 0.3215842161
4 15 0.1044477599
4 14 -0.0880744486
2 0 -0.0864393264
2 4 -0.0494839955
Ria beta
1 0 0.8384720971
2 15 0.2567025638
1 2 0.0918536273
1 3 0.0897411742
2 17 0.0741612871
RIJAB alpha
4 3 13 10 -0.0137632995
4 1 13 0 0.0136218428
4 1 13 2 0.0111631443
3 1 13 8 -0.0095167893
4 2 15 1 0.0085454725
Rijab beta
2 1 16 0 -0.0194740660
2 1 15 0 0.0155446706
2 1 17 0 0.0129019808
2 1 15 3 0.0128964505
2 1 17 2 0.0125924231
RIjAb alpha,beta
4 2 2 0 -0.0840104464
2 2 14 0 0.0659219379
2 1 4 0 0.0657149616
2 2 13 0 -0.0648389080
3 1 11 0 -0.0574635064
Symmetry of excited state: B2
Symmetry of right eigenvector: A2
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)= 1.7104876058
SigmaSS, D(norm sigma)= 0.8644708123
SigmaSS, D(norm sigma)= -1.2930436744
SigmaSS, D(norm sigma)= 0.8719501959
SigmaSS, D(norm sigma)= 9.7910814441
SigmaSS, D(norm sigma)= 0.8576438820
SigmaSS, D(norm sigma)= -11.1620989715
SigmaSS, D(norm sigma)= 0.8384891931
SigmaSS, D(norm sigma)= -2.0519071290
SigmaSS, D(norm sigma)= 0.2619024119
SigmaSS, D(norm sigma)= 0.2029701880
SigmaSS, D(norm sigma)= 0.5422800581
SigmaSS, D(norm sigma)= -1.0552865580
SigmaSS, D(norm sigma)= 0.6016800959
SigmaSS, D(norm sigma)= -0.6358396300
SigmaSS, D(norm sigma)= 0.0796822399
SigmaSS, D(norm sigma)= -0.0796822399
SigmaSS, D(norm sigma)= 0.0796822399
SigmaSS, D(norm sigma)= 0.9064238942
SigmaSS, D(norm sigma)= 0.1767449197
SigmaSS, D(norm sigma)= -1.1656320663
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= -0.0562102776
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= 1.1174733717
SigmaSS, D(norm sigma)= 0.4650043912
SigmaSS, D(norm sigma)= -1.6386880406
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= 1.1174733717
SigmaSS, D(norm sigma)= 0.4650043912
SigmaSS, D(norm sigma)= 0.4512011124
SigmaSS, D(norm sigma)= -0.5412190210
SigmaSS, D(norm sigma)= -1.5486701320
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= 1.1174733717
SigmaSS, D(norm sigma)= 0.4650043912
SigmaSS, D(norm sigma)= 0.4512011124
SigmaSS, D(norm sigma)= -0.5412190210
SigmaSS, D(norm sigma)= 1.9444581217
SigmaSS, D(norm sigma)= -1.9493873135
SigmaSS, D(norm sigma)= -1.5437409401
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= 1.1174733717
SigmaSS, D(norm sigma)= 0.4650043912
SigmaSS, D(norm sigma)= 0.4512011124
SigmaSS, D(norm sigma)= -0.5412190210
SigmaSS, D(norm sigma)= 1.9444581217
SigmaSS, D(norm sigma)= -1.9493873135
SigmaSS, D(norm sigma)= 6.2950386587
SigmaSS, D(norm sigma)= -4.9265783231
SigmaSS, D(norm sigma)= -2.9122012757
SigmaSS, D(norm sigma)= 0.0562102776
SigmaSS, D(norm sigma)= 1.1174733717
SigmaSS, D(norm sigma)= 0.4650043912
SigmaSS, D(norm sigma)= 0.4512011124
SigmaSS, D(norm sigma)= -0.5412190210
SigmaSS, D(norm sigma)= 1.9444581217
SigmaSS, D(norm sigma)= -1.9493873135
SigmaSS, D(norm sigma)= 6.2950386587
SigmaSS, D(norm sigma)= -4.9265783231
SigmaSS, D(norm sigma)= 4.4775562593
SigmaSS, D(norm sigma)= -7.3897765759
SigmaSS, D(norm sigma)= 0.0560336226
Done.
DPD File2: CME 0
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 1
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 2
Irrep: 1 row = 0 col = 8
Irrep: 2 row = 1 col = 6
Irrep: 3 row = 1 col = 3
File 141 DPD File2: CME 0
Matrix for Irrep 0
----------------------------------------
0 1
( 8) ( 9)
0 ( 0) -0.000229293697406 -0.000199875045294
1 ( 1) -0.026173790603133 -0.004930244346306
2 ( 2) -0.002027664196144 0.009378042011175
File 141 DPD File2: CME 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
File 141 DPD File2: CME 0
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 3) -0.167895328849643 0.019213865246371 -0.039938448038773 0.003101016722884 0.001269211779062 0.005191019061731
File 141 DPD File2: CME 0
Matrix for Irrep 3
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 4) 0.008908765423391 0.011498510949383 -0.008643062427961
DPD File2: Cme 0
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 1
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 2
Irrep: 1 row = 0 col = 9
Irrep: 2 row = 0 col = 6
Irrep: 3 row = 1 col = 4
File 142 DPD File2: Cme 0
Matrix for Irrep 0
----------------------------------------
0 1
( 9) ( 10)
0 ( 0) -0.000595125552521 -0.000326921433356
1 ( 1) -0.043718113840762 -0.007875567531408
File 142 DPD File2: Cme 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
File 142 DPD File2: Cme 0
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
File 142 DPD File2: Cme 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
0 ( 2) -0.972208985179824 -0.145932259937608 0.015556459425977 0.004315543214229
DPD File2: CME 1
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 1
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 2
Irrep: 1 row = 0 col = 8
Irrep: 2 row = 1 col = 6
Irrep: 3 row = 1 col = 3
File 141 DPD File2: CME 1
Matrix for Irrep 0
----------------------------------------
0 1
( 8) ( 9)
0 ( 0) 0.000345722843064 0.000450878997080
1 ( 1) 0.003133970558905 0.012330548126212
2 ( 2) -0.009911890892268 -0.001825415437230
File 141 DPD File2: CME 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
File 141 DPD File2: CME 1
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 3) 0.966193969029983 -0.058362474588290 0.179151635519608 -0.000088448484276 0.012744657659836 -0.012106540344243
File 141 DPD File2: CME 1
Matrix for Irrep 3
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 4) -0.004963061821422 0.006950324740593 -0.004061007971873
DPD File2: Cme 1
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 1
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 2
Irrep: 1 row = 0 col = 9
Irrep: 2 row = 0 col = 6
Irrep: 3 row = 1 col = 4
File 142 DPD File2: Cme 1
Matrix for Irrep 0
----------------------------------------
0 1
( 9) ( 10)
0 ( 0) 0.000010267977073 0.000062139782213
1 ( 1) -0.000026357330133 0.004439780886068
File 142 DPD File2: Cme 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
File 142 DPD File2: Cme 1
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
File 142 DPD File2: Cme 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
0 ( 2) -0.173417734573603 -0.013415815212008 0.005650763749752 0.000432551352559
resetting norm
Iter=1 L=2 resetting norm
SigmaSS, D(norm sigma)= 0.3419798709
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0895708355
WabejDS, D(norm sigma)= 0.0689193101
WnmjeDS, D(norm sigma)= 0.0006280816
WbmfeDS, D(norm sigma)= 0.0032674129
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3980134935
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0780380431
WabejDS, D(norm sigma)= 0.0306254989
WnmjeDS, D(norm sigma)= 0.0007520158
WbmfeDS, D(norm sigma)= 0.0005636574
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
The G Matrix
0 1
0 0.341979870925621 -0.000006132160665
1 0.000000000000000 0.398013493463483
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.3707213731376
Norm of residual vector 0 after precondition 0.3707213731376
1 0.3419798709 3.42e-01 3.71e-01 N
Norm of residual vector af preconditioning 0.1451981271850
Norm of residual vector 1 before precondition 0.3156580686240
Norm of residual vector 1 after precondition 0.3156580686240
2 0.3980134935 3.98e-01 3.16e-01 N
Norm of residual vector af preconditioning 0.1436689069660
Iter=2 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.0000041086
FSD , D(norm sigma)= 0.0017936763
WamefSD, D(norm sigma)= 0.3396608433
WmnieSD, D(norm sigma)= 0.0723057947
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= -0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 1.3081356808
Fmj_DD, D(norm sigma)= 1.1919748419
WmnijDD, D(norm sigma)= 0.4796928532
WabefDD, D(norm sigma)= 0.5427359763
WmbejDD, D(norm sigma)= -1.6941966544
WmnefDD XAF, D(norm sigma)= 0.0062785450
WmnefDD XLI, D(norm sigma)= 0.0007973282
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000046906
FSD , D(norm sigma)= 0.0006231316
WamefSD, D(norm sigma)= 0.1411624522
WmnieSD, D(norm sigma)= 0.1814213142
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 1.1423855495
Fmj_DD, D(norm sigma)= 1.1241602624
WmnijDD, D(norm sigma)= 0.4476127649
WabefDD, D(norm sigma)= 0.4017246879
WmbejDD, D(norm sigma)= -1.3993879409
WmnefDD XAF, D(norm sigma)= 0.0070796077
WmnefDD XLI, D(norm sigma)= 0.0005884780
resetting norm
The G Matrix
0 1 2 3
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0777970424055
Norm of residual vector 0 after precondition 0.0777970424055
1 0.2667551751 -7.52e-02 7.78e-02 N
Norm of residual vector af preconditioning 0.0331469778900
Norm of residual vector 1 before precondition 0.0672010113903
Norm of residual vector 1 after precondition 0.0672010113903
2 0.3376517286 -6.04e-02 6.72e-02 N
Norm of residual vector af preconditioning 0.0271361710505
Iter=3 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.8810017786
FSD , D(norm sigma)= 0.0001730296
WamefSD, D(norm sigma)= 0.0123800883
WmnieSD, D(norm sigma)= -0.0240837028
WmaijDS, D(norm sigma)= 0.0203685543
WabejDS, D(norm sigma)= 0.0102152029
WnmjeDS, D(norm sigma)= -0.0000347671
WbmfeDS, D(norm sigma)= 0.0006146235
Fbe_FDD , D(norm sigma)= 0.7865539606
Fmj_DD, D(norm sigma)= 0.8845643063
WmnijDD, D(norm sigma)= 0.3161272123
WabefDD, D(norm sigma)= 0.2915901878
WmbejDD, D(norm sigma)= -1.0804129009
WmnefDD XAF, D(norm sigma)= 0.0023224063
WmnefDD XLI, D(norm sigma)= 0.0000783499
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.5767275169
FSD , D(norm sigma)= -0.0002259944
WamefSD, D(norm sigma)= -0.0484326715
WmnieSD, D(norm sigma)= 0.0397652323
WmaijDS, D(norm sigma)= 0.0091820916
WabejDS, D(norm sigma)= -0.0002306896
WnmjeDS, D(norm sigma)= 0.0000069185
WbmfeDS, D(norm sigma)= 0.0000731133
Fbe_FDD , D(norm sigma)= 1.1037044637
Fmj_DD, D(norm sigma)= 1.1701332795
WmnijDD, D(norm sigma)= 0.4034381453
WabefDD, D(norm sigma)= 0.3619589745
WmbejDD, D(norm sigma)= -1.4203379760
WmnefDD XAF, D(norm sigma)= 0.0015988406
WmnefDD XLI, D(norm sigma)= 0.0000779295
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
5
0 -0.004051393513171
1 0.039152261948171
2 0.044330773621084
3 -0.500581258600029
4 0.042451510877829
5 1.690710555454205
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0246679742760
Norm of residual vector 0 after precondition 0.0246679742760
1 0.2628427702 -3.91e-03 2.47e-02 N
Norm of residual vector af preconditioning 0.0088355095319
Norm of residual vector 1 before precondition 0.0262748201412
Norm of residual vector 1 after precondition 0.0262748201412
2 0.3344499650 -3.20e-03 2.63e-02 N
Norm of residual vector af preconditioning 0.0102926713189
Iter=4 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.8451762021
FSD , D(norm sigma)= 0.0001713014
WamefSD, D(norm sigma)= 0.0434588211
WmnieSD, D(norm sigma)= 0.0208251352
WmaijDS, D(norm sigma)= 0.0101626662
WabejDS, D(norm sigma)= 0.0009383716
WnmjeDS, D(norm sigma)= 0.0000324147
WbmfeDS, D(norm sigma)= 0.0000077914
Fbe_FDD , D(norm sigma)= 1.0882435705
Fmj_DD, D(norm sigma)= 1.2976100264
WmnijDD, D(norm sigma)= 0.3888543088
WabefDD, D(norm sigma)= 0.3777907045
WmbejDD, D(norm sigma)= -1.2351895183
WmnefDD XAF, D(norm sigma)= 0.0018309198
WmnefDD XLI, D(norm sigma)= 0.0001743611
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6046242966
FSD , D(norm sigma)= -0.0000984911
WamefSD, D(norm sigma)= 0.0523262160
WmnieSD, D(norm sigma)= 0.0078483803
WmaijDS, D(norm sigma)= 0.0048147168
WabejDS, D(norm sigma)= 0.0007819753
WnmjeDS, D(norm sigma)= -0.0000071498
WbmfeDS, D(norm sigma)= -0.0000138370
Fbe_FDD , D(norm sigma)= 1.2109868752
Fmj_DD, D(norm sigma)= 1.4017106877
WmnijDD, D(norm sigma)= 0.4088312531
WabefDD, D(norm sigma)= 0.3695050078
WmbejDD, D(norm sigma)= -1.2772281778
WmnefDD XAF, D(norm sigma)= 0.0006061970
WmnefDD XLI, D(norm sigma)= 0.0005479894
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
5 6 7
0 -0.004051393513171 0.007566763881806 0.002984866321578
1 0.039152261948171 0.007022768662779 -0.004252966110282
2 0.044330773621084 -0.101544157503368 0.003034710261176
3 -0.500581258600029 -0.024731770277972 -0.084146019112547
4 0.042451510877829 -0.701395259537743 0.032407439023898
5 1.690710555454205 -0.046652905840588 0.799796152604655
6 -0.047945154379958 2.191693794981478 -0.008576046854088
7 0.800869287264425 -0.009213883889312 1.869176258455462
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0067401543700
Norm of residual vector 0 after precondition 0.0067401543700
1 0.2625053879 -3.37e-04 6.74e-03 N
Norm of residual vector af preconditioning 0.0025447397323
Norm of residual vector 1 before precondition 0.0141731016769
Norm of residual vector 1 after precondition 0.0141731016769
2 0.3340304777 -4.19e-04 1.42e-02 N
Norm of residual vector af preconditioning 0.0059344191414
Iter=5 L=10 resetting norm
SigmaSS, D(norm sigma)= 0.6427310846
FSD , D(norm sigma)= -0.0000511604
WamefSD, D(norm sigma)= 0.0281185641
WmnieSD, D(norm sigma)= 0.0522652358
WmaijDS, D(norm sigma)= 0.0075053246
WabejDS, D(norm sigma)= 0.0011588481
WnmjeDS, D(norm sigma)= 0.0000473441
WbmfeDS, D(norm sigma)= 0.0000894660
Fbe_FDD , D(norm sigma)= 1.2483285442
Fmj_DD, D(norm sigma)= 1.3470127228
WmnijDD, D(norm sigma)= 0.4326137831
WabefDD, D(norm sigma)= 0.4145482771
WmbejDD, D(norm sigma)= -1.2810544448
WmnefDD XAF, D(norm sigma)= 0.0020143969
WmnefDD XLI, D(norm sigma)= 0.0000434182
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6571700089
FSD , D(norm sigma)= -0.0001198545
WamefSD, D(norm sigma)= 0.0705561005
WmnieSD, D(norm sigma)= 0.0337653664
WmaijDS, D(norm sigma)= 0.0076515977
WabejDS, D(norm sigma)= 0.0058893408
WnmjeDS, D(norm sigma)= 0.0000556007
WbmfeDS, D(norm sigma)= 0.0000023037
Fbe_FDD , D(norm sigma)= 1.1824049773
Fmj_DD, D(norm sigma)= 1.7196805689
WmnijDD, D(norm sigma)= 0.4356960951
WabefDD, D(norm sigma)= 0.3436784127
WmbejDD, D(norm sigma)= -1.1178290049
WmnefDD XAF, D(norm sigma)= 0.0008029213
WmnefDD XLI, D(norm sigma)= 0.0010136587
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0022602842595
Norm of residual vector 0 after precondition 0.0022602842595
1 0.2624787146 -2.67e-05 2.26e-03 N
Norm of residual vector af preconditioning 0.0008268675563
Norm of residual vector 1 before precondition 0.0087397767729
Norm of residual vector 1 after precondition 0.0087397767729
2 0.3338640616 -1.66e-04 8.74e-03 N
Norm of residual vector af preconditioning 0.0033035551262
Iter=6 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.6985444994
FSD , D(norm sigma)= -0.0002480864
WamefSD, D(norm sigma)= 0.0432701664
WmnieSD, D(norm sigma)= 0.0319658040
WmaijDS, D(norm sigma)= 0.0080552323
WabejDS, D(norm sigma)= 0.0040636835
WnmjeDS, D(norm sigma)= 0.0000608689
WbmfeDS, D(norm sigma)= 0.0000446553
Fbe_FDD , D(norm sigma)= 1.3177343819
Fmj_DD, D(norm sigma)= 1.2265569035
WmnijDD, D(norm sigma)= 0.4320702704
WabefDD, D(norm sigma)= 0.4306269995
WmbejDD, D(norm sigma)= -1.2000306372
WmnefDD XAF, D(norm sigma)= 0.0011931965
WmnefDD XLI, D(norm sigma)= 0.0000651446
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6820470733
FSD , D(norm sigma)= -0.0001207768
WamefSD, D(norm sigma)= 0.0448201856
WmnieSD, D(norm sigma)= 0.0499590302
WmaijDS, D(norm sigma)= 0.0068902526
WabejDS, D(norm sigma)= 0.0044955222
WnmjeDS, D(norm sigma)= 0.0000366406
WbmfeDS, D(norm sigma)= -0.0000090388
Fbe_FDD , D(norm sigma)= 1.0524878032
Fmj_DD, D(norm sigma)= 1.8815531841
WmnijDD, D(norm sigma)= 0.5078411959
WabefDD, D(norm sigma)= 0.3119006879
WmbejDD, D(norm sigma)= -1.1100299214
WmnefDD XAF, D(norm sigma)= 0.0008354210
WmnefDD XLI, D(norm sigma)= 0.0000870749
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
10 11
0 0.015438237576207 0.009285338138195
1 0.010435242874591 -0.017456946151506
2 -0.087632446984488 -0.060552314852202
3 -0.080235050659781 0.124631759273227
4 -0.115886511646210 -0.082528641841215
5 0.067172405520781 -0.147091063973788
6 -0.002609336193710 0.036059605512597
7 0.061487551541231 -0.260467348747163
8 -0.823178871999024 -0.214805374188101
9 0.133746182063047 -0.904094981639493
10 2.236172576260101 0.179786663784418
11 0.180226995457206 2.120896987786635
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0007679600286
Norm of residual vector 0 after precondition 0.0007679600286
1 0.2624770582 -1.66e-06 7.68e-04 N
Norm of residual vector af preconditioning 0.0002865116494
Norm of residual vector 1 before precondition 0.0038081204400
Norm of residual vector 1 after precondition 0.0038081204400
2 0.3338488732 -1.52e-05 3.81e-03 N
Norm of residual vector af preconditioning 0.0011520388661
Iter=7 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.8431597486
FSD , D(norm sigma)= -0.0002002923
WamefSD, D(norm sigma)= 0.0304601904
WmnieSD, D(norm sigma)= 0.0465885812
WmaijDS, D(norm sigma)= 0.0097467621
WabejDS, D(norm sigma)= 0.0069588365
WnmjeDS, D(norm sigma)= 0.0000141201
WbmfeDS, D(norm sigma)= 0.0002284754
Fbe_FDD , D(norm sigma)= 1.2751737080
Fmj_DD, D(norm sigma)= 1.3236840585
WmnijDD, D(norm sigma)= 0.4345331551
WabefDD, D(norm sigma)= 0.4225018742
WmbejDD, D(norm sigma)= -1.1221128415
WmnefDD XAF, D(norm sigma)= 0.0014846680
WmnefDD XLI, D(norm sigma)= 0.0000308269
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6769756304
FSD , D(norm sigma)= -0.0001744319
WamefSD, D(norm sigma)= 0.0145187215
WmnieSD, D(norm sigma)= 0.0679332391
WmaijDS, D(norm sigma)= 0.0045461160
WabejDS, D(norm sigma)= 0.0033042234
WnmjeDS, D(norm sigma)= -0.0000070952
WbmfeDS, D(norm sigma)= -0.0000038246
Fbe_FDD , D(norm sigma)= 1.3462614788
Fmj_DD, D(norm sigma)= 2.2996840420
WmnijDD, D(norm sigma)= 0.6207962020
WabefDD, D(norm sigma)= 0.3160381675
WmbejDD, D(norm sigma)= -1.1767575449
WmnefDD XAF, D(norm sigma)= 0.0011104551
WmnefDD XLI, D(norm sigma)= 0.0000051146
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
10 11 12 13
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0002184501579
Norm of residual vector 0 after precondition 0.0002184501579
1 0.2624764170 -6.41e-07 2.18e-04 N
Norm of residual vector af preconditioning 0.0000741793285
Norm of residual vector 1 before precondition 0.0011199704398
Norm of residual vector 1 after precondition 0.0011199704398
2 0.3338467706 -2.10e-06 1.12e-03 N
Norm of residual vector af preconditioning 0.0003224828304
Iter=8 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.5199614086
FSD , D(norm sigma)= -0.0000206225
WamefSD, D(norm sigma)= 0.0552882227
WmnieSD, D(norm sigma)= 0.0177776528
WmaijDS, D(norm sigma)= 0.0038658275
WabejDS, D(norm sigma)= 0.0022038872
WnmjeDS, D(norm sigma)= -0.0000020109
WbmfeDS, D(norm sigma)= 0.0000172365
Fbe_FDD , D(norm sigma)= 1.4590222581
Fmj_DD, D(norm sigma)= 1.5237046871
WmnijDD, D(norm sigma)= 0.4653403039
WabefDD, D(norm sigma)= 0.4164013389
WmbejDD, D(norm sigma)= -1.3550482029
WmnefDD XAF, D(norm sigma)= 0.0012538789
WmnefDD XLI, D(norm sigma)= 0.0001788311
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4874131413
FSD , D(norm sigma)= -0.0002151672
WamefSD, D(norm sigma)= 0.0130886061
WmnieSD, D(norm sigma)= 0.0121484637
WmaijDS, D(norm sigma)= 0.0070214805
WabejDS, D(norm sigma)= 0.0054565490
WnmjeDS, D(norm sigma)= 0.0000226265
WbmfeDS, D(norm sigma)= 0.0000544985
Fbe_FDD , D(norm sigma)= 1.3647194712
Fmj_DD, D(norm sigma)= 2.6655015339
WmnijDD, D(norm sigma)= 0.6521167157
WabefDD, D(norm sigma)= 0.3016296839
WmbejDD, D(norm sigma)= -1.1375112206
WmnefDD XAF, D(norm sigma)= 0.0007024133
WmnefDD XLI, D(norm sigma)= 0.0000982553
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
14 -0.001303685057474 0.001436175453840 0.024466421929727 -0.004821284516321 0.078964526141838
15 -0.004679038339195 -0.007029381113984 0.040145023789451 0.051168463948651 0.084295063427704
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
14 -0.004937143271692 -0.068273360221056 -0.005234490793493 0.035332826564769 0.047313359453686
15 -0.053065165376433 -0.101007217144924 0.016339572386604 -0.081275993674643 0.023571735804330
10 11 12 13 14
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015 -0.001964862602342
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123 0.002582097412957
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283 0.025765740140298
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321 -0.004899197367416
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281 0.073979305329518
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135 -0.003067800649942
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656 -0.070640750136513
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642 -0.005718439061037
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920 0.036734975411060
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088 0.047148583700318
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796 0.020556116079229
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029 -0.104645293860749
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735 -0.820343712033438
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666 0.022024988988441
14 0.022153969920598 -0.104008653383043 -0.817171978212189 0.022921750360874 2.314256674235953
15 0.001486847593529 0.156200537037293 0.117384421316282 -1.067625222575548 -0.025276540937833
15
0 -0.005122234096549
1 -0.008516764140973
2 0.041000128341331
3 0.055263954128904
4 0.082368441502195
5 -0.054304884107853
6 -0.102489782807663
7 0.016060276315592
8 -0.081101044838663
9 0.024503023596589
10 0.000873254941879
11 0.155073695382822
12 0.116024103727013
13 -1.065715597244294
14 -0.026384588400597
15 2.593781487630326
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000659478780
Norm of residual vector 0 after precondition 0.0000659478780
1 0.2624763857 -3.14e-08 6.59e-05 N
Norm of residual vector af preconditioning 0.0000211802689
Norm of residual vector 1 before precondition 0.0003431480968
Norm of residual vector 1 after precondition 0.0003431480968
2 0.3338463665 -4.04e-07 3.43e-04 N
Norm of residual vector af preconditioning 0.0000940374726
Iter=9 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.4858682020
FSD , D(norm sigma)= -0.0000606471
WamefSD, D(norm sigma)= 0.0192672155
WmnieSD, D(norm sigma)= 0.0115404984
WmaijDS, D(norm sigma)= 0.0045206101
WabejDS, D(norm sigma)= 0.0008001576
WnmjeDS, D(norm sigma)= -0.0000304187
WbmfeDS, D(norm sigma)= 0.0000296100
Fbe_FDD , D(norm sigma)= 1.6231721081
Fmj_DD, D(norm sigma)= 1.9888955857
WmnijDD, D(norm sigma)= 0.5322138494
WabefDD, D(norm sigma)= 0.3845322068
WmbejDD, D(norm sigma)= -1.2861993055
WmnefDD XAF, D(norm sigma)= 0.0008541223
WmnefDD XLI, D(norm sigma)= 0.0000022982
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.3863134943
FSD , D(norm sigma)= -0.0000219814
WamefSD, D(norm sigma)= 0.0199492465
WmnieSD, D(norm sigma)= 0.0177661890
WmaijDS, D(norm sigma)= 0.0033074655
WabejDS, D(norm sigma)= 0.0014683721
WnmjeDS, D(norm sigma)= 0.0000061844
WbmfeDS, D(norm sigma)= 0.0000004475
Fbe_FDD , D(norm sigma)= 1.6825949945
Fmj_DD, D(norm sigma)= 3.7897055577
WmnijDD, D(norm sigma)= 0.8282439520
WabefDD, D(norm sigma)= 0.3129687220
WmbejDD, D(norm sigma)= -1.1689699972
WmnefDD XAF, D(norm sigma)= 0.0003523194
WmnefDD XLI, D(norm sigma)= 0.0000263023
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
14 -0.001303685057474 0.001436175453840 0.024466421929727 -0.004821284516321 0.078964526141838
15 -0.004679038339195 -0.007029381113984 0.040145023789451 0.051168463948651 0.084295063427704
16 0.004165789180620 -0.007088539685825 -0.011960562578013 0.038423041854018 0.031185066573795
17 -0.002220099833680 0.012653047882608 0.010075838139703 -0.069789657349268 0.000066164353801
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
14 -0.004937143271692 -0.068273360221056 -0.005234490793493 0.035332826564769 0.047313359453686
15 -0.053065165376433 -0.101007217144924 0.016339572386604 -0.081275993674643 0.023571735804330
16 -0.007875229687121 -0.022310566385677 0.040410219842916 0.016190789453995 0.093977897171090
17 0.075776784754921 -0.020917383824292 0.162026569011569 -0.092616197646548 0.242873899987220
10 11 12 13 14
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015 -0.001964862602342
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123 0.002582097412957
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283 0.025765740140298
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321 -0.004899197367416
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281 0.073979305329518
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135 -0.003067800649942
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656 -0.070640750136513
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642 -0.005718439061037
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920 0.036734975411060
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088 0.047148583700318
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796 0.020556116079229
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029 -0.104645293860749
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735 -0.820343712033438
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666 0.022024988988441
14 0.022153969920598 -0.104008653383043 -0.817171978212189 0.022921750360874 2.314256674235953
15 0.001486847593529 0.156200537037293 0.117384421316282 -1.067625222575548 -0.025276540937833
16 0.000419104289367 -0.168282532879931 -0.167236155183290 0.229867557510970 1.106161250278349
17 0.171517684669469 -0.303002643555984 -0.148102735522845 0.649888402693798 0.094788872979107
15 16 17
0 -0.005122234096549 0.002203146716839 -0.003837176490165
1 -0.008516764140973 -0.007027743029297 0.012564871433938
2 0.041000128341331 -0.011046694295225 0.009353186624973
3 0.055263954128904 0.037794128026047 -0.068483268074541
4 0.082368441502195 0.028642455387168 0.001623944898028
5 -0.054304884107853 -0.008287767296462 0.074400796876356
6 -0.102489782807663 -0.023878090574404 -0.020684615430017
7 0.016060276315592 0.040308283706904 0.161761794268303
8 -0.081101044838663 0.016416898078171 -0.092863962046038
9 0.024503023596589 0.093045007982162 0.243189134200316
10 0.000873254941879 -0.000084149259720 0.171366908900811
11 0.155073695382822 -0.167886856949659 -0.303235117359055
12 0.116024103727013 -0.169472626268581 -0.146882716356642
13 -1.065715597244294 0.228884823195544 0.651428957931528
14 -0.026384588400597 1.106851539098005 0.094182164472303
15 2.593781487630326 -0.159985060647845 -1.560855087710539
16 -0.160997184835210 2.586256202043918 0.235064526898289
17 -1.560904471255882 0.235379895983796 3.411378115813704
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000235139184
Norm of residual vector 0 after precondition 0.0000235139184
1 0.2624764419 5.62e-08 2.35e-05 N
Norm of residual vector af preconditioning 0.0000060415393
Norm of residual vector 1 before precondition 0.0000975671620
Norm of residual vector 1 after precondition 0.0000975671620
2 0.3338463768 1.03e-08 9.76e-05 N
Norm of residual vector af preconditioning 0.0000276542489
Iter=10 L=20 resetting norm
SigmaSS, D(norm sigma)= 0.5097812120
FSD , D(norm sigma)= -0.0000916728
WamefSD, D(norm sigma)= 0.0353624622
WmnieSD, D(norm sigma)= 0.0213084177
WmaijDS, D(norm sigma)= 0.0056520593
WabejDS, D(norm sigma)= 0.0018873707
WnmjeDS, D(norm sigma)= 0.0000098911
WbmfeDS, D(norm sigma)= 0.0000109448
Fbe_FDD , D(norm sigma)= 1.5729482997
Fmj_DD, D(norm sigma)= 2.9423600569
WmnijDD, D(norm sigma)= 0.6937818984
WabefDD, D(norm sigma)= 0.3438072303
WmbejDD, D(norm sigma)= -1.1039377669
WmnefDD XAF, D(norm sigma)= 0.0005404282
WmnefDD XLI, D(norm sigma)= 0.0000512005
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6387324227
FSD , D(norm sigma)= -0.0001643060
WamefSD, D(norm sigma)= -0.0037701963
WmnieSD, D(norm sigma)= 0.0458961881
WmaijDS, D(norm sigma)= 0.0045490554
WabejDS, D(norm sigma)= 0.0020813526
WnmjeDS, D(norm sigma)= 0.0000088386
WbmfeDS, D(norm sigma)= -0.0000387267
Fbe_FDD , D(norm sigma)= 1.4844378350
Fmj_DD, D(norm sigma)= 4.2648306557
WmnijDD, D(norm sigma)= 0.9090715874
WabefDD, D(norm sigma)= 0.2882272012
WmbejDD, D(norm sigma)= -1.1184975605
WmnefDD XAF, D(norm sigma)= 0.0004229808
WmnefDD XLI, D(norm sigma)= 0.0000525569
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
14 -0.001303685057474 0.001436175453840 0.024466421929727 -0.004821284516321 0.078964526141838
15 -0.004679038339195 -0.007029381113984 0.040145023789451 0.051168463948651 0.084295063427704
16 0.004165789180620 -0.007088539685825 -0.011960562578013 0.038423041854018 0.031185066573795
17 -0.002220099833680 0.012653047882608 0.010075838139703 -0.069789657349268 0.000066164353801
18 0.007086823000318 -0.009073462121704 -0.038635847817244 0.050075235700822 -0.031269701465816
19 -0.000618271804354 0.015585828174658 -0.002583887624073 -0.083689534519855 -0.032621250763889
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
14 -0.004937143271692 -0.068273360221056 -0.005234490793493 0.035332826564769 0.047313359453686
15 -0.053065165376433 -0.101007217144924 0.016339572386604 -0.081275993674643 0.023571735804330
16 -0.007875229687121 -0.022310566385677 0.040410219842916 0.016190789453995 0.093977897171090
17 0.075776784754921 -0.020917383824292 0.162026569011569 -0.092616197646548 0.242873899987220
18 -0.028099707981292 0.052585392027480 0.060698967432504 -0.009793471794448 0.198541585459029
19 0.030026308120601 0.068885223187584 -0.079183001561703 0.068616934765957 -0.233135452236369
10 11 12 13 14
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015 -0.001964862602342
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123 0.002582097412957
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283 0.025765740140298
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321 -0.004899197367416
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281 0.073979305329518
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135 -0.003067800649942
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656 -0.070640750136513
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642 -0.005718439061037
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920 0.036734975411060
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088 0.047148583700318
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796 0.020556116079229
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029 -0.104645293860749
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735 -0.820343712033438
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666 0.022024988988441
14 0.022153969920598 -0.104008653383043 -0.817171978212189 0.022921750360874 2.314256674235953
15 0.001486847593529 0.156200537037293 0.117384421316282 -1.067625222575548 -0.025276540937833
16 0.000419104289367 -0.168282532879931 -0.167236155183290 0.229867557510970 1.106161250278349
17 0.171517684669469 -0.303002643555984 -0.148102735522845 0.649888402693798 0.094788872979107
18 0.148743054951151 -0.244814486817514 -0.147109002811629 0.229540417820197 0.289347307890772
19 -0.104272555604041 0.372799531954826 0.080253730544133 -0.570030352638795 -0.055435043635029
15 16 17 18 19
0 -0.005122234096549 0.002203146716839 -0.003837176490165 0.008542668000692 -0.002001141430262
1 -0.008516764140973 -0.007027743029297 0.012564871433938 -0.010037391656382 0.018188110477622
2 0.041000128341331 -0.011046694295225 0.009353186624973 -0.038484470314654 -0.003827731399075
3 0.055263954128904 0.037794128026047 -0.068483268074541 0.052045685980252 -0.082106535736393
4 0.082368441502195 0.028642455387168 0.001623944898028 -0.028767909677925 -0.031772612130444
5 -0.054304884107853 -0.008287767296462 0.074400796876356 -0.028149622575428 0.029537297713961
6 -0.102489782807663 -0.023878090574404 -0.020684615430017 0.051757627657042 0.070390244098984
7 0.016060276315592 0.040308283706904 0.161761794268303 0.061085557727674 -0.078799752236185
8 -0.081101044838663 0.016416898078171 -0.092863962046038 -0.010442228719512 0.068532466199009
9 0.024503023596589 0.093045007982162 0.243189134200316 0.197973423666740 -0.232452906143827
10 0.000873254941879 -0.000084149259720 0.171366908900811 0.148734908053064 -0.103576560750637
11 0.155073695382822 -0.167886856949659 -0.303235117359055 -0.244080820468162 0.372937144883132
12 0.116024103727013 -0.169472626268581 -0.146882716356642 -0.145699009586237 0.080922787698021
13 -1.065715597244294 0.228884823195544 0.651428957931528 0.230126300509845 -0.569231502499914
14 -0.026384588400597 1.106851539098005 0.094182164472303 0.289950752010605 -0.055929980189704
15 2.593781487630326 -0.159985060647845 -1.560855087710539 -0.198236530406176 0.871352850917273
16 -0.160997184835210 2.586256202043918 0.235064526898289 1.221683111358754 -0.070319967566242
17 -1.560904471255882 0.235379895983796 3.411378115813704 0.259566205361797 -2.037360428003579
18 -0.198122665318790 1.221595641044834 0.259190259910690 3.035205425285982 0.052739981221984
19 0.871956368160503 -0.070096819160265 -2.036439482982389 0.053054350698477 3.720546344699661
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000079991854
Norm of residual vector 0 after precondition 0.0000079991854
1 0.2624764570 1.52e-08 8.00e-06 N
Norm of residual vector af preconditioning 0.0000017095504
Norm of residual vector 1 before precondition 0.0000308940820
Norm of residual vector 1 after precondition 0.0000308940820
2 0.3338463912 1.44e-08 3.09e-05 N
Norm of residual vector af preconditioning 0.0000082631176
Iter=11 L=22 resetting norm
SigmaSS, D(norm sigma)= 0.5554484743
FSD , D(norm sigma)= -0.0001001815
WamefSD, D(norm sigma)= 0.0251566794
WmnieSD, D(norm sigma)= 0.0427125171
WmaijDS, D(norm sigma)= 0.0042684279
WabejDS, D(norm sigma)= 0.0026102981
WnmjeDS, D(norm sigma)= -0.0000089269
WbmfeDS, D(norm sigma)= 0.0000073603
Fbe_FDD , D(norm sigma)= 1.6209291708
Fmj_DD, D(norm sigma)= 4.5879317097
WmnijDD, D(norm sigma)= 0.9934781306
WabefDD, D(norm sigma)= 0.2897401985
WmbejDD, D(norm sigma)= -1.0053806149
WmnefDD XAF, D(norm sigma)= 0.0002779601
WmnefDD XLI, D(norm sigma)= 0.0000051250
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4959365999
FSD , D(norm sigma)= -0.0001657910
WamefSD, D(norm sigma)= 0.0082682208
WmnieSD, D(norm sigma)= 0.0231543265
WmaijDS, D(norm sigma)= 0.0099595969
WabejDS, D(norm sigma)= 0.0052298181
WnmjeDS, D(norm sigma)= -0.0000755096
WbmfeDS, D(norm sigma)= -0.0000487856
Fbe_FDD , D(norm sigma)= 1.4877735702
Fmj_DD, D(norm sigma)= 4.6011013231
WmnijDD, D(norm sigma)= 0.9670223206
WabefDD, D(norm sigma)= 0.2537602970
WmbejDD, D(norm sigma)= -1.0541252281
WmnefDD XAF, D(norm sigma)= 0.0004259677
WmnefDD XLI, D(norm sigma)= 0.0000003664
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
14 -0.001303685057474 0.001436175453840 0.024466421929727 -0.004821284516321 0.078964526141838
15 -0.004679038339195 -0.007029381113984 0.040145023789451 0.051168463948651 0.084295063427704
16 0.004165789180620 -0.007088539685825 -0.011960562578013 0.038423041854018 0.031185066573795
17 -0.002220099833680 0.012653047882608 0.010075838139703 -0.069789657349268 0.000066164353801
18 0.007086823000318 -0.009073462121704 -0.038635847817244 0.050075235700822 -0.031269701465816
19 -0.000618271804354 0.015585828174658 -0.002583887624073 -0.083689534519855 -0.032621250763889
20 -0.004934458073204 -0.002893795760359 0.007865544783173 0.016689039424829 -0.050771023619021
21 -0.001833524921810 0.015402182235186 -0.002848346047648 -0.090853542842902 -0.044366949543753
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
14 -0.004937143271692 -0.068273360221056 -0.005234490793493 0.035332826564769 0.047313359453686
15 -0.053065165376433 -0.101007217144924 0.016339572386604 -0.081275993674643 0.023571735804330
16 -0.007875229687121 -0.022310566385677 0.040410219842916 0.016190789453995 0.093977897171090
17 0.075776784754921 -0.020917383824292 0.162026569011569 -0.092616197646548 0.242873899987220
18 -0.028099707981292 0.052585392027480 0.060698967432504 -0.009793471794448 0.198541585459029
19 0.030026308120601 0.068885223187584 -0.079183001561703 0.068616934765957 -0.233135452236369
20 0.016052482107410 -0.015846669180025 0.168701529482052 -0.131475904210485 0.297890409212046
21 0.031894504848904 0.041606767790347 -0.196213645772782 0.127063485035188 -0.438125872366261
10 11 12 13 14
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015 -0.001964862602342
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123 0.002582097412957
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283 0.025765740140298
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321 -0.004899197367416
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281 0.073979305329518
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135 -0.003067800649942
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656 -0.070640750136513
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642 -0.005718439061037
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920 0.036734975411060
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088 0.047148583700318
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796 0.020556116079229
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029 -0.104645293860749
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735 -0.820343712033438
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666 0.022024988988441
14 0.022153969920598 -0.104008653383043 -0.817171978212189 0.022921750360874 2.314256674235953
15 0.001486847593529 0.156200537037293 0.117384421316282 -1.067625222575548 -0.025276540937833
16 0.000419104289367 -0.168282532879931 -0.167236155183290 0.229867557510970 1.106161250278349
17 0.171517684669469 -0.303002643555984 -0.148102735522845 0.649888402693798 0.094788872979107
18 0.148743054951151 -0.244814486817514 -0.147109002811629 0.229540417820197 0.289347307890772
19 -0.104272555604041 0.372799531954826 0.080253730544133 -0.570030352638795 -0.055435043635029
20 0.236146507868813 -0.277123533320984 -0.215037709837719 0.265543598223812 0.171623934658349
21 -0.203501907526257 0.591628098876676 0.051499353065902 -0.757934410168371 0.050636752513052
15 16 17 18 19
0 -0.005122234096549 0.002203146716839 -0.003837176490165 0.008542668000692 -0.002001141430262
1 -0.008516764140973 -0.007027743029297 0.012564871433938 -0.010037391656382 0.018188110477622
2 0.041000128341331 -0.011046694295225 0.009353186624973 -0.038484470314654 -0.003827731399075
3 0.055263954128904 0.037794128026047 -0.068483268074541 0.052045685980252 -0.082106535736393
4 0.082368441502195 0.028642455387168 0.001623944898028 -0.028767909677925 -0.031772612130444
5 -0.054304884107853 -0.008287767296462 0.074400796876356 -0.028149622575428 0.029537297713961
6 -0.102489782807663 -0.023878090574404 -0.020684615430017 0.051757627657042 0.070390244098984
7 0.016060276315592 0.040308283706904 0.161761794268303 0.061085557727674 -0.078799752236185
8 -0.081101044838663 0.016416898078171 -0.092863962046038 -0.010442228719512 0.068532466199009
9 0.024503023596589 0.093045007982162 0.243189134200316 0.197973423666740 -0.232452906143827
10 0.000873254941879 -0.000084149259720 0.171366908900811 0.148734908053064 -0.103576560750637
11 0.155073695382822 -0.167886856949659 -0.303235117359055 -0.244080820468162 0.372937144883132
12 0.116024103727013 -0.169472626268581 -0.146882716356642 -0.145699009586237 0.080922787698021
13 -1.065715597244294 0.228884823195544 0.651428957931528 0.230126300509845 -0.569231502499914
14 -0.026384588400597 1.106851539098005 0.094182164472303 0.289950752010605 -0.055929980189704
15 2.593781487630326 -0.159985060647845 -1.560855087710539 -0.198236530406176 0.871352850917273
16 -0.160997184835210 2.586256202043918 0.235064526898289 1.221683111358754 -0.070319967566242
17 -1.560904471255882 0.235379895983796 3.411378115813704 0.259566205361797 -2.037360428003579
18 -0.198122665318790 1.221595641044834 0.259190259910690 3.035205425285982 0.052739981221984
19 0.871956368160503 -0.070096819160265 -2.036439482982389 0.053054350698477 3.720546344699661
20 -0.179295271461294 0.481982011506758 0.278580467128085 1.813789221775682 -0.152772367058937
21 0.683671831646560 -0.005618540487502 -1.080853277122707 0.023161777533558 2.073069260039167
20 21
0 -0.004177637016844 -0.001771805347890
1 -0.003089099993328 0.017352212218328
2 0.005566110604216 -0.002040058870970
3 0.017106605282627 -0.092495396776198
4 -0.051108218238577 -0.043082020684179
5 0.015819714552298 0.032209496950209
6 -0.014015979373907 0.042064522813398
7 0.169764407574632 -0.196230029235463
8 -0.132137817458125 0.126406093876664
9 0.298368766010029 -0.437039652769194
10 0.235945099362477 -0.202559759680489
11 -0.276979454070796 0.591829997345057
12 -0.214817412511199 0.052900764272118
13 0.266102811679270 -0.759551395477084
14 0.171618974129734 0.050705079512943
15 -0.179246401364404 0.682222952050985
16 0.482022193933202 -0.004757951742095
17 0.278755325159361 -1.081122977108569
18 1.813244794280338 0.023784802683279
19 -0.152313821786539 2.071807479189611
20 4.025180028082934 -0.127039913899928
21 -0.127369285544031 3.576163531377358
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000023321986
Norm of residual vector 0 after precondition 0.0000023321986
1 0.2624764583 1.23e-09 2.33e-06 N
Norm of residual vector af preconditioning 0.0000004637304
Norm of residual vector 1 before precondition 0.0000107077886
Norm of residual vector 1 after precondition 0.0000107077886
2 0.3338464147 2.34e-08 1.07e-05 N
Norm of residual vector af preconditioning 0.0000023506434
Iter=12 L=24 resetting norm
SigmaSS, D(norm sigma)= 0.6971887919
FSD , D(norm sigma)= -0.0000631233
WamefSD, D(norm sigma)= 0.0229647909
WmnieSD, D(norm sigma)= 0.0237006978
WmaijDS, D(norm sigma)= 0.0038211229
WabejDS, D(norm sigma)= 0.0016288609
WnmjeDS, D(norm sigma)= -0.0000006746
WbmfeDS, D(norm sigma)= -0.0000077002
Fbe_FDD , D(norm sigma)= 1.3942546436
Fmj_DD, D(norm sigma)= 6.8098468403
WmnijDD, D(norm sigma)= 1.3269791069
WabefDD, D(norm sigma)= 0.2366945003
WmbejDD, D(norm sigma)= -0.9398266481
WmnefDD XAF, D(norm sigma)= 0.0002220479
WmnefDD XLI, D(norm sigma)= 0.0000186104
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4136130907
FSD , D(norm sigma)= -0.0000573591
WamefSD, D(norm sigma)= 0.0131538655
WmnieSD, D(norm sigma)= 0.0217517577
WmaijDS, D(norm sigma)= 0.0090169104
WabejDS, D(norm sigma)= 0.0007590558
WnmjeDS, D(norm sigma)= -0.0000433517
WbmfeDS, D(norm sigma)= 0.0000483486
Fbe_FDD , D(norm sigma)= 1.5204052036
Fmj_DD, D(norm sigma)= 6.1667166883
WmnijDD, D(norm sigma)= 1.1785292074
WabefDD, D(norm sigma)= 0.2179153385
WmbejDD, D(norm sigma)= -1.0172295523
WmnefDD XAF, D(norm sigma)= 0.0003335459
WmnefDD XLI, D(norm sigma)= 0.0002304334
resetting norm
The G Matrix
0 1 2 3 4
0 0.341979870925621 -0.000006132160665 -0.377974682000538 -0.016587648417599 -0.043810455176980
1 0.000000000000000 0.398013493463483 -0.013125436124723 -0.310101690130692 -0.003465273333304
2 -0.350346800602364 -0.011919353327003 2.029391576654471 0.075782909328000 0.541805888760097
3 -0.015609005818275 -0.287027292689928 0.075621955748755 1.810013575061383 0.045236099300534
4 -0.040996926627413 -0.003267860751249 0.552185978811745 0.047306220581648 1.648671278995101
5 -0.004982222325778 0.039595885863868 0.043684259510826 -0.506174280708937 0.043168694110145
6 0.005007608645717 0.005007750151844 -0.105452456054915 -0.024566397877639 -0.696001279467960
7 0.001745893179602 0.000178268934995 0.003311832420051 -0.088008385753917 0.032753619144285
8 -0.001662981667843 -0.004983603537114 0.026517802520443 0.034386438172039 -0.025589113572269
9 0.001982101870202 0.005553229735817 0.001686358590686 -0.070998353353137 0.027125320231183
10 0.013200280376986 0.011776892884389 -0.088288070519417 -0.076615177425487 -0.116117980060838
11 0.008256942833362 -0.019910763440553 -0.058487215372045 0.120427707643761 -0.081885289282391
12 0.009064489138567 -0.009245513736535 -0.066242574254740 0.036788037090756 -0.081607399916038
13 -0.002628312414961 0.022763642807563 0.010368548174368 -0.125672406507972 -0.002707510879985
14 -0.001303685057474 0.001436175453840 0.024466421929727 -0.004821284516321 0.078964526141838
15 -0.004679038339195 -0.007029381113984 0.040145023789451 0.051168463948651 0.084295063427704
16 0.004165789180620 -0.007088539685825 -0.011960562578013 0.038423041854018 0.031185066573795
17 -0.002220099833680 0.012653047882608 0.010075838139703 -0.069789657349268 0.000066164353801
18 0.007086823000318 -0.009073462121704 -0.038635847817244 0.050075235700822 -0.031269701465816
19 -0.000618271804354 0.015585828174658 -0.002583887624073 -0.083689534519855 -0.032621250763889
20 -0.004934458073204 -0.002893795760359 0.007865544783173 0.016689039424829 -0.050771023619021
21 -0.001833524921810 0.015402182235186 -0.002848346047648 -0.090853542842902 -0.044366949543753
22 -0.001646890661406 0.001937165065786 -0.000586070425251 -0.005684832123792 -0.040516971711969
23 0.004316200803088 -0.011986811045067 -0.024909653203343 0.063725251114116 -0.016341412616242
5 6 7 8 9
0 -0.004051393513171 0.007566763881806 0.002984866321578 -0.001303052938295 0.002517232370199
1 0.039152261948171 0.007022768662779 -0.004252966110282 -0.004594907584978 0.004005250066919
2 0.044330773621084 -0.101544157503368 0.003034710261176 0.026729192108512 0.002931149474081
3 -0.500581258600029 -0.024731770277972 -0.084146019112547 0.036949419734412 -0.075647493694797
4 0.042451510877829 -0.701395259537743 0.032407439023898 -0.030177985493554 0.026101564986703
5 1.690710555454205 -0.046652905840588 0.799796152604655 -0.070953012604594 0.354818343855837
6 -0.047945154379958 2.191693794981478 -0.008576046854088 0.850397403257817 0.063129892377213
7 0.800869287264425 -0.009213883889312 1.869176258455462 -0.203148277594719 1.130525448930072
8 -0.071145332016373 0.850090548250125 -0.202434855388362 2.202932979694557 0.131247471013037
9 0.353583060952328 0.062732476339724 1.130096283441523 0.130967321771252 2.132107968174430
10 0.065407941691842 -0.003678119372892 0.061688375348838 -0.824670806247456 0.134412379572064
11 -0.145476727908486 0.035533761659330 -0.259960278905668 -0.216052453143488 -0.904229034645608
12 0.025954433069749 -0.002584069925049 0.053893118024661 0.148010615954297 0.028403849952167
13 0.065021387123197 -0.008990945334878 -0.018134159154979 0.087088047188409 0.126721447560986
14 -0.004937143271692 -0.068273360221056 -0.005234490793493 0.035332826564769 0.047313359453686
15 -0.053065165376433 -0.101007217144924 0.016339572386604 -0.081275993674643 0.023571735804330
16 -0.007875229687121 -0.022310566385677 0.040410219842916 0.016190789453995 0.093977897171090
17 0.075776784754921 -0.020917383824292 0.162026569011569 -0.092616197646548 0.242873899987220
18 -0.028099707981292 0.052585392027480 0.060698967432504 -0.009793471794448 0.198541585459029
19 0.030026308120601 0.068885223187584 -0.079183001561703 0.068616934765957 -0.233135452236369
20 0.016052482107410 -0.015846669180025 0.168701529482052 -0.131475904210485 0.297890409212046
21 0.031894504848904 0.041606767790347 -0.196213645772782 0.127063485035188 -0.438125872366261
22 -0.033995808519268 0.087642643487271 -0.091740206383077 0.170390375102662 -0.121415261155532
23 0.007483561445861 -0.004143733455922 0.223318656148475 -0.054272319366951 0.469020578689902
10 11 12 13 14
0 0.015438237576207 0.009285338138195 0.009154855667526 -0.002449273623015 -0.001964862602342
1 0.010435242874591 -0.017456946151506 -0.009186478970822 0.022997239255123 0.002582097412957
2 -0.087632446984488 -0.060552314852202 -0.068402961163098 0.009475816508283 0.025765740140298
3 -0.080235050659781 0.124631759273227 0.035675348216120 -0.125290988541321 -0.004899197367416
4 -0.115886511646210 -0.082528641841215 -0.079595660922565 -0.001853629984281 0.073979305329518
5 0.067172405520781 -0.147091063973788 0.026423563531238 0.065475760727135 -0.003067800649942
6 -0.002609336193710 0.036059605512597 -0.000319564036394 -0.007991210792656 -0.070640750136513
7 0.061487551541231 -0.260467348747163 0.053324167033459 -0.017463087199642 -0.005718439061037
8 -0.823178871999024 -0.214805374188101 0.147194843746356 0.085167071152920 0.036734975411060
9 0.133746182063047 -0.904094981639493 0.026998378477576 0.128318184320088 0.047148583700318
10 2.236172576260101 0.179786663784418 -1.083422044940376 -0.096271044915796 0.020556116079229
11 0.180226995457206 2.120896987786635 -0.218376075235445 -1.014054597987029 -0.104645293860749
12 -1.084119889105442 -0.220266744330529 2.490835022589438 0.011631622056735 -0.820343712033438
13 -0.098047748054869 -1.013785969178348 0.010471929950356 2.684828923280666 0.022024988988441
14 0.022153969920598 -0.104008653383043 -0.817171978212189 0.022921750360874 2.314256674235953
15 0.001486847593529 0.156200537037293 0.117384421316282 -1.067625222575548 -0.025276540937833
16 0.000419104289367 -0.168282532879931 -0.167236155183290 0.229867557510970 1.106161250278349
17 0.171517684669469 -0.303002643555984 -0.148102735522845 0.649888402693798 0.094788872979107
18 0.148743054951151 -0.244814486817514 -0.147109002811629 0.229540417820197 0.289347307890772
19 -0.104272555604041 0.372799531954826 0.080253730544133 -0.570030352638795 -0.055435043635029
20 0.236146507868813 -0.277123533320984 -0.215037709837719 0.265543598223812 0.171623934658349
21 -0.203501907526257 0.591628098876676 0.051499353065902 -0.757934410168371 0.050636752513052
22 -0.247403463259545 0.102199404697785 0.285770582356993 -0.192371725209113 -0.270239914554700
23 0.157681677930391 -0.587971133544439 -0.062504036744058 0.724445010615536 0.068164123952616
15 16 17 18 19
0 -0.005122234096549 0.002203146716839 -0.003837176490165 0.008542668000692 -0.002001141430262
1 -0.008516764140973 -0.007027743029297 0.012564871433938 -0.010037391656382 0.018188110477622
2 0.041000128341331 -0.011046694295225 0.009353186624973 -0.038484470314654 -0.003827731399075
3 0.055263954128904 0.037794128026047 -0.068483268074541 0.052045685980252 -0.082106535736393
4 0.082368441502195 0.028642455387168 0.001623944898028 -0.028767909677925 -0.031772612130444
5 -0.054304884107853 -0.008287767296462 0.074400796876356 -0.028149622575428 0.029537297713961
6 -0.102489782807663 -0.023878090574404 -0.020684615430017 0.051757627657042 0.070390244098984
7 0.016060276315592 0.040308283706904 0.161761794268303 0.061085557727674 -0.078799752236185
8 -0.081101044838663 0.016416898078171 -0.092863962046038 -0.010442228719512 0.068532466199009
9 0.024503023596589 0.093045007982162 0.243189134200316 0.197973423666740 -0.232452906143827
10 0.000873254941879 -0.000084149259720 0.171366908900811 0.148734908053064 -0.103576560750637
11 0.155073695382822 -0.167886856949659 -0.303235117359055 -0.244080820468162 0.372937144883132
12 0.116024103727013 -0.169472626268581 -0.146882716356642 -0.145699009586237 0.080922787698021
13 -1.065715597244294 0.228884823195544 0.651428957931528 0.230126300509845 -0.569231502499914
14 -0.026384588400597 1.106851539098005 0.094182164472303 0.289950752010605 -0.055929980189704
15 2.593781487630326 -0.159985060647845 -1.560855087710539 -0.198236530406176 0.871352850917273
16 -0.160997184835210 2.586256202043918 0.235064526898289 1.221683111358754 -0.070319967566242
17 -1.560904471255882 0.235379895983796 3.411378115813704 0.259566205361797 -2.037360428003579
18 -0.198122665318790 1.221595641044834 0.259190259910690 3.035205425285982 0.052739981221984
19 0.871956368160503 -0.070096819160265 -2.036439482982389 0.053054350698477 3.720546344699661
20 -0.179295271461294 0.481982011506758 0.278580467128085 1.813789221775682 -0.152772367058937
21 0.683671831646560 -0.005618540487502 -1.080853277122707 0.023161777533558 2.073069260039167
22 0.262036337331203 -0.470827012653848 -0.386116916204510 -1.138274264112147 0.234344501309925
23 -0.684711115706851 0.204590495515995 0.886357468052005 0.338550859477331 -1.262121431266061
20 21 22 23
0 -0.004177637016844 -0.001771805347890 -0.000701239558145 0.003327680857861
1 -0.003089099993328 0.017352212218328 0.002156619030701 -0.009599969021217
2 0.005566110604216 -0.002040058870970 -0.001059367659040 -0.025185065399000
3 0.017106605282627 -0.092495396776198 -0.004739707874237 0.065873273820238
4 -0.051108218238577 -0.043082020684179 -0.042378782438185 -0.016529452379079
5 0.015819714552298 0.032209496950209 -0.033770226017201 0.008238314117957
6 -0.014015979373907 0.042064522813398 0.087734612451165 -0.004801554435899
7 0.169764407574632 -0.196230029235463 -0.091323208856621 0.222635357019936
8 -0.132137817458125 0.126406093876664 0.171416222468140 -0.054029058029615
9 0.298368766010029 -0.437039652769194 -0.121202985879439 0.468117233762730
10 0.235945099362477 -0.202559759680489 -0.248014076179206 0.156262963800064
11 -0.276979454070796 0.591829997345057 0.101600060087840 -0.587286762360419
12 -0.214817412511199 0.052900764272118 0.285170358986079 -0.063006510462982
13 0.266102811679270 -0.759551395477084 -0.191897630100064 0.724216229941335
14 0.171618974129734 0.050705079512943 -0.271041645779491 0.068029425121287
15 -0.179246401364404 0.682222952050985 0.262196241753723 -0.683947804504239
16 0.482022193933202 -0.004757951742095 -0.471518045372403 0.204133164641873
17 0.278755325159361 -1.081122977108569 -0.385764294134795 0.887052814759715
18 1.813244794280338 0.023784802683279 -1.138232611005413 0.338838353680750
19 -0.152313821786539 2.071807479189611 0.234307804456893 -1.262696669242710
20 4.025180028082934 -0.127039913899928 -2.873736717048479 0.631394653713284
21 -0.127369285544031 3.576163531377358 0.131696128608810 -2.467664272180922
22 -2.873651707207534 0.131562773042296 5.442640458604385 -0.850134221519809
23 0.630670388704876 -2.467244045927112 -0.850727167389870 4.575297296771175
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000005540348
Norm of residual vector 0 after precondition 0.0000005540348
1 0.2624764577 -5.66e-10 5.54e-07 Y
Norm of residual vector 1 before precondition 0.0000032832462
Norm of residual vector 1 after precondition 0.0000032832462
2 0.3338464030 -1.16e-08 3.28e-06 N
Norm of residual vector af preconditioning 0.0000007134306
alpha
1 2 3 4 5 6 7 8 9 10
1 0.9743252 -0.0351182 0.0198089 -0.0360265 0.0634485 0.0513914 -0.0247637 0.0664374 0.0090390 -0.0805658
2 0.0385201 0.9734749 -0.0779482 -0.0077548 0.0071370 0.0453087 0.0879185 -0.0030261 -0.0929906 0.0145856
3 0.2116970 -0.0106282 -0.0282666 0.0793201 -0.1066239 -0.1088081 0.0690331 -0.1537463 -0.0440164 0.2461994
4 0.0081238 0.2110299 0.0830902 0.0059224 -0.0138984 -0.0797697 -0.2307670 0.0224753 0.3006606 -0.0407881
5 -0.0635473 -0.0023611 0.0673339 -0.1564509 0.4091097 0.3092312 -0.0872586 0.4292387 -0.0410475 -0.3730178
6 -0.0003167 0.0679982 0.3285318 0.0253765 -0.0310656 -0.2343408 -0.4306180 0.0055170 0.3962315 -0.0982050
7 -0.0160147 0.0023683 0.1266192 -0.2625292 0.3471341 0.3041073 -0.0813816 0.1530655 0.0074671 0.0735261
8 0.0014735 -0.0369171 -0.6124990 -0.0816513 -0.0021163 0.2293534 0.2149802 -0.0245017 0.0421507 -0.0238151
9 0.0049229 -0.0060406 -0.2276561 0.3438168 -0.2475372 -0.1985887 -0.0058909 0.1361849 0.0493792 -0.3232926
10 -0.0008919 0.0191362 0.5344344 0.1691927 0.0011062 -0.0692486 0.2563798 -0.0088043 -0.2959501 -0.0263600
11 0.0016284 -0.0040942 -0.2103547 0.4097216 0.0784589 -0.1783939 -0.1350949 0.3576070 0.0009496 -0.1768403
12 -0.0000384 0.0067082 0.2734047 0.3227283 -0.0948034 0.2173968 0.3957779 0.1052586 -0.0828300 -0.0971009
13 0.0004984 -0.0009053 -0.0812323 0.4034459 0.2048163 -0.0136631 -0.1347981 0.2571482 -0.1040313 0.1199327
14 0.0000183 0.0018340 0.1094155 0.2154199 -0.0729114 0.2688426 0.2860759 0.0802126 0.2387683 -0.0483581
15 0.0001368 -0.0002117 -0.0402147 0.3676439 0.2979732 0.1249800 -0.1658812 -0.0675398 -0.0682448 0.4186850
16 -0.0000006 0.0005503 0.0589946 0.1098379 -0.2455645 0.3795416 0.0489569 0.0342595 0.4362620 0.0316980
17 -0.0000389 0.0000607 0.0228745 -0.2755384 -0.3108102 -0.1627919 0.1155613 0.3429666 -0.0567553 -0.1913635
18 0.0000000 0.0001511 0.0312023 0.0577887 -0.2938245 0.3646569 -0.1958464 0.0396149 0.1846254 0.1294863
19 0.0000103 -0.0000213 -0.0134539 0.1624698 0.2319552 0.1103398 -0.0324058 -0.4605512 0.0708194 -0.2702717
20 -0.0000004 0.0000431 0.0166857 0.0305310 -0.2924643 0.2937321 -0.3256223 0.0035139 -0.2021937 0.0349107
21 -0.0000027 0.0000053 0.0066936 -0.0855500 -0.1359733 -0.0603381 -0.0108538 0.3925653 -0.0662645 0.4498875
22 -0.0000000 -0.0000130 -0.0070565 -0.0337295 0.2646563 -0.2348890 0.3616445 0.0896968 0.4622052 0.1521457
23 -0.0000006 0.0000006 0.0022353 -0.0314820 -0.0293338 -0.0331782 0.0179906 0.1760427 0.0190367 0.2636260
24 -0.0000000 -0.0000030 -0.0019310 -0.0175056 0.1052495 -0.0904590 0.1647871 0.0528047 0.2777165 0.1209236
11 12 13 14 15 16 17 18 19 20
1 0.0139205 -0.1126786 0.0197147 -0.1010445 -0.0825158 0.0594680 0.0027288 -0.0519413 0.0056404 0.0035400
2 -0.0823820 -0.0279866 -0.1453012 0.0161770 -0.0496614 -0.0051582 0.0308193 -0.0181611 -0.0277015 -0.0060426
3 -0.0574220 0.4432272 -0.1028979 0.4937523 0.4073533 -0.3198608 -0.0183821 0.3058530 -0.0409086 -0.0326743
4 0.2980078 0.1085178 0.7183149 -0.1005933 0.2793936 0.0260275 -0.1431292 0.1059398 0.1935874 0.0542838
5 -0.0197319 -0.2399447 -0.0315500 0.1924938 0.1540449 -0.2238420 -0.0087746 0.4403961 -0.0774258 -0.0773605
6 0.3312928 0.0525171 -0.2870655 0.2252313 -0.2653029 -0.0563231 -0.0198271 -0.0791218 -0.3434676 -0.1627509
7 -0.0108061 0.3691489 -0.0538262 0.1122911 0.1509924 -0.0806700 -0.0779933 -0.6254698 0.1764788 0.1259677
8 0.3094130 0.0639333 0.2004622 0.1297899 -0.1249057 -0.0163169 -0.1912374 -0.1089076 -0.4130477 -0.2782194
9 0.0078175 -0.3191944 -0.0775577 0.1160187 0.1751157 -0.3741548 -0.1321586 -0.2494002 0.2347993 0.1849453
10 -0.1878437 -0.0769383 0.2829454 -0.0793348 0.1369553 -0.0708358 -0.1677577 -0.1367430 -0.3463137 -0.3184649
11 -0.2081014 0.2235603 0.0162695 -0.0120472 0.2090773 0.1883781 0.2015481 -0.2718986 -0.1525238 -0.2792055
12 0.3729592 0.0179838 0.0121805 0.3493344 -0.2223314 0.0906731 -0.1935054 -0.0926524 0.1366656 0.1510682
13 -0.1083965 0.2964494 0.0191800 -0.0383143 -0.2601212 0.2773931 -0.2052013 0.2766095 -0.0257956 0.3208064
14 0.2386381 0.1717682 -0.0540847 -0.2122356 0.0895343 -0.0102281 0.6284784 0.1094449 -0.0403931 0.0600076
15 0.1167218 -0.0990882 0.0178409 -0.1703099 -0.2158024 -0.3887164 -0.0798133 0.0341956 0.2078164 -0.3372133
16 -0.1964950 0.0661239 -0.2632516 -0.3108841 0.1627659 -0.0329451 -0.3124401 0.0596162 0.0946581 -0.2503461
17 -0.0715903 0.3418261 0.0113362 -0.0411070 -0.2631022 0.0427709 -0.1752528 0.1542576 0.2661809 -0.2975248
18 -0.3780723 -0.1169800 0.1525093 0.1813179 -0.0741615 0.0305359 -0.1689958 -0.0292360 -0.2608203 0.2487528
19 -0.0321388 -0.0686823 -0.1094404 0.1933092 0.1967376 0.4799985 -0.1233612 0.0619248 0.1514519 -0.1363989
20 -0.1243160 -0.0633699 0.2537143 0.2997285 -0.1550721 0.0467521 0.4117320 -0.0408812 0.0908777 -0.1703590
21 0.2414925 -0.2667936 -0.1355772 0.0198849 0.2637859 0.1868045 -0.0366221 -0.0152540 -0.0590172 0.0933552
22 -0.2815525 -0.1060716 0.1693655 0.1247657 -0.1016134 -0.0307628 0.0757545 -0.0178335 -0.1700353 0.1210857
23 0.1168080 -0.2223201 -0.0902082 0.1452960 0.2291787 0.3790529 -0.0336321 0.0139641 0.1013970 -0.2751355
24 -0.2011145 -0.1296175 0.1054139 0.3247084 -0.2302071 0.0239354 0.1345828 -0.0373095 0.3874679 -0.2319101
21 22 23 24
1 0.0004962 -0.0000858 0.0000933 0.0002488
2 0.0093222 -0.0017978 -0.0000247 -0.0006611
3 -0.0059832 -0.0000512 -0.0010607 -0.0009056
4 -0.0595061 -0.0030512 0.0007504 0.0009394
5 -0.0470923 -0.0108822 -0.0014534 0.0028057
6 0.0851501 0.0802841 -0.0026893 0.0167567
7 0.1973012 0.0579222 -0.0071425 -0.0100202
8 0.1044341 0.1731393 -0.0073641 0.0592797
9 0.3533932 0.1315163 -0.0258995 -0.0263408
10 0.2030296 0.2340697 -0.0239913 0.1093554
11 -0.3473065 -0.2361426 0.0427385 0.0570831
12 -0.3290487 -0.1995407 0.0625222 -0.1426608
13 0.2298627 0.3857833 -0.0666280 -0.0534619
14 0.3248155 -0.0131957 -0.1087312 0.2012503
15 0.1323321 -0.3206137 0.0868954 0.0561909
16 -0.1859929 0.2643270 0.1391679 -0.2224926
17 0.3290736 -0.2804295 0.1491220 0.1158446
18 0.0911852 -0.3825048 -0.2120313 0.3267970
19 0.2858207 -0.1149384 0.3131636 0.1970481
20 0.0963401 0.1994936 0.3124150 -0.3579082
21 0.0073868 0.0902477 0.4830307 0.3195545
22 0.1746418 -0.1710840 0.3240153 -0.3765709
23 0.2346784 -0.1217907 -0.5574525 -0.3738072
24 -0.1958995 0.3749067 -0.1944077 0.4393362
alpha_old
1 2 3 4 5 6 7 8 9 10
1 -0.9743252 0.0351182 0.0197735 0.0356274 -0.0785108 0.0350646 -0.0298598 0.0657640 -0.0288918 -0.1071925
2 -0.0385201 -0.9734749 -0.0779026 0.0076892 -0.0066923 0.0599462 0.0940220 0.0085482 0.0989284 -0.0217548
3 -0.2116970 0.0106282 -0.0281694 -0.0785561 0.1413519 -0.0761318 0.0903876 -0.1545756 0.0980129 0.3677179
4 -0.0081238 -0.2110299 0.0830463 -0.0061541 0.0070489 -0.1170607 -0.2678259 -0.0158095 -0.3319319 0.0930015
5 0.0635473 0.0023610 0.0672413 0.1526882 -0.4943892 0.2208884 -0.1041159 0.4334722 -0.0516867 -0.3995092
6 0.0003167 -0.0679981 0.3284236 -0.0264823 0.0312802 -0.3066132 -0.4491099 -0.0523988 -0.4068194 -0.0069751
7 0.0160147 -0.0023684 0.1266802 0.2651748 -0.4167507 0.2158197 -0.0849049 0.1251520 -0.0094479 0.2592049
8 -0.0014735 0.0369170 -0.6124900 0.0830920 -0.0141559 0.2697808 0.1628444 -0.0262067 -0.1687345 0.0339646
9 -0.0049228 0.0060407 -0.2277468 -0.3487574 0.2751338 -0.1380987 -0.0452008 0.1797398 -0.1015398 -0.4044915
10 0.0008919 -0.0191361 0.5346101 -0.1691450 0.0378906 -0.0182178 0.3229463 0.0607797 0.2531963 -0.0857341
11 -0.0016284 0.0040942 -0.2103505 -0.4184046 -0.0769235 -0.1959655 -0.1275640 0.3842293 -0.0046175 -0.0027235
12 0.0000384 -0.0067082 0.2734382 -0.3274391 0.0916506 0.3262601 0.3211229 0.1203954 -0.0998449 -0.0802335
13 -0.0004984 0.0009053 -0.0811282 -0.4079942 -0.2354010 -0.0688474 -0.0980443 0.2369903 0.1491609 0.2606822
14 -0.0000183 -0.0018340 0.1095400 -0.2168913 0.0611661 0.3558870 0.1452011 0.0682470 -0.3718391 0.1361506
15 -0.0001368 0.0002118 -0.0401356 -0.3672417 -0.3487211 0.0277473 -0.0980629 -0.1881019 0.1565169 0.2840194
16 0.0000006 -0.0005505 0.0591258 -0.1082049 0.1952064 0.4494876 -0.2069883 -0.0258402 -0.2780246 0.1302551
17 0.0000388 -0.0000605 0.0222353 0.2664891 0.3349547 -0.0657352 0.0544488 0.4479926 -0.0081840 0.0812385
18 -0.0000000 -0.0001508 0.0307332 -0.0546270 0.1947273 0.3718085 -0.3925590 -0.0398746 0.1463607 0.0186523
19 -0.0000102 0.0000212 -0.0125922 -0.1456418 -0.2234436 0.0349875 0.0402612 -0.4603530 -0.1279698 -0.3869442
20 0.0000004 -0.0000424 0.0159135 -0.0214199 0.1652031 0.2406533 -0.3822084 -0.0292150 0.4332047 -0.1258625
21 0.0000022 -0.0000045 0.0042082 0.0528271 0.0845146 -0.0146252 -0.0348634 0.2260143 0.0723815 0.2296481
22 0.0000000 0.0000105 -0.0051324 0.0129455 -0.0984235 -0.1146472 0.2218723 0.0575913 -0.3088226 0.1714252
11 12 13 14 15 16 17 18 19 20
1 -0.0115602 0.1061286 0.0093696 0.1250781 0.0023761 0.0065269 -0.0519900 0.0064344 0.0064912 0.0002530
2 0.0746059 -0.0175903 0.1433668 0.0103083 -0.0087009 -0.0403924 -0.0254812 -0.0157461 -0.0142535 0.0056660
3 0.0519749 -0.4727146 -0.0294586 -0.6357267 -0.0188783 -0.0378160 0.3060946 -0.0427028 -0.0517956 -0.0053575
4 -0.2993063 0.1088835 -0.7205512 -0.0590842 0.0810547 0.2185692 0.1488858 0.0936285 0.1203296 -0.0459597
5 0.0066989 0.0164927 0.0289802 -0.3270097 -0.0468675 -0.0843612 0.4326415 -0.0392507 -0.1122669 -0.0455829
6 -0.2214432 -0.1628172 0.3576659 -0.0097063 -0.2498560 -0.1587478 -0.1240865 -0.1212515 -0.3072479 0.1117125
7 0.0288449 -0.2967341 -0.0288150 -0.1422841 0.0720559 0.2545581 -0.5768479 -0.0890723 0.2263200 0.1812485
8 -0.3160104 -0.0410394 -0.1306068 0.0001896 -0.2829113 0.0084213 -0.1332992 -0.1116865 -0.4678037 0.1777632
9 0.0082293 0.1140059 0.0987614 -0.3785175 0.0177109 0.2574170 -0.1840373 -0.2006036 0.3106436 0.3466742
10 0.0977819 0.1240866 -0.3123368 -0.0657258 -0.0762154 0.1240327 -0.1281573 -0.1658037 -0.4636296 0.2774313
11 0.2322710 -0.2335453 -0.1681623 0.0331124 0.2160560 -0.0984665 -0.2959599 0.0537750 -0.2802935 -0.4434404
12 -0.4311853 -0.1843544 0.0949316 -0.0103859 -0.3052830 0.0565781 -0.1025863 0.1988388 0.1861570 -0.3545749
13 0.0299653 -0.1557702 -0.0231295 0.3326598 -0.2599325 0.0055756 0.2512533 0.2521313 0.1078620 0.4960213
14 -0.0536071 -0.0290128 0.0176378 0.0815749 0.4895976 -0.4413393 0.0661064 -0.1851665 0.1007997 0.2331443
15 -0.1829925 0.3295947 0.1559419 -0.0116823 -0.0256394 0.1755835 0.1095244 -0.5297119 0.0628835 -0.2256346
16 0.4034642 0.0676960 0.1432904 0.0481901 0.0866966 0.4534966 0.1465636 0.0766392 -0.2618494 -0.0028162
17 0.0193360 -0.2618569 -0.0348208 0.3020779 -0.1633086 0.1543868 0.2073833 -0.4258763 0.1610367 -0.0630456
18 0.2592428 0.1153708 -0.1565940 -0.1020376 -0.4492446 -0.2025492 -0.1114309 0.0070304 0.1477529 -0.1170535
19 0.1775277 -0.3497176 -0.1014791 0.1242749 -0.0739300 0.0468463 0.0486213 0.0979347 0.1195553 0.0658925
20 -0.2257827 -0.1147623 -0.1503648 0.0161189 0.1413823 -0.3168675 -0.0673634 -0.1260547 -0.0276576 0.1305182
21 -0.1725304 0.3072054 0.1910071 -0.2184398 0.0674121 0.0008463 -0.0550774 0.4897464 -0.0236169 0.0935516
22 0.3505080 0.2638600 -0.1649936 -0.1252089 -0.3510026 -0.3982820 -0.1137699 -0.1059792 0.1521893 0.0136894
21 22
1 -0.0006429 -0.0000191
2 -0.0001846 -0.0003093
3 0.0039374 -0.0009426
4 0.0026311 0.0063759
5 0.0060774 -0.0042588
6 -0.0153144 -0.0251928
7 0.0002368 0.0089134
8 -0.0452468 -0.0683818
9 0.0294898 0.0203221
10 -0.0708451 -0.1261169
11 -0.0875695 -0.0521260
12 0.0441815 0.1793954
13 0.1359695 0.0504361
14 -0.0018661 -0.2714360
15 -0.2070309 -0.0523563
16 -0.0582687 0.3200591
17 -0.3509297 -0.1077192
18 0.1067980 -0.4781117
19 -0.5572804 -0.1428487
20 -0.2292302 0.5154767
21 -0.6167793 -0.1872075
22 -0.1982900 0.4478488
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 0.9743252 -0.0351182 -0.9743252 0.0351182 0.0198089 -0.0360265 0.0634485 0.0513914 -0.0247637 0.0664374
2 0.0385201 0.9734749 -0.0385201 -0.9734749 -0.0779482 -0.0077548 0.0071370 0.0453087 0.0879185 -0.0030261
3 0.2116970 -0.0106282 -0.2116970 0.0106282 -0.0282666 0.0793201 -0.1066239 -0.1088081 0.0690331 -0.1537463
4 0.0081238 0.2110299 -0.0081238 -0.2110299 0.0830902 0.0059224 -0.0138984 -0.0797697 -0.2307670 0.0224753
5 -0.0635473 -0.0023611 0.0635473 0.0023610 0.0673339 -0.1564509 0.4091097 0.3092312 -0.0872586 0.4292387
6 -0.0003167 0.0679982 0.0003167 -0.0679981 0.3285318 0.0253765 -0.0310656 -0.2343408 -0.4306180 0.0055170
7 -0.0160147 0.0023683 0.0160147 -0.0023684 0.1266192 -0.2625292 0.3471341 0.3041073 -0.0813816 0.1530655
8 0.0014735 -0.0369171 -0.0014735 0.0369170 -0.6124990 -0.0816513 -0.0021163 0.2293534 0.2149802 -0.0245017
9 0.0049229 -0.0060406 -0.0049228 0.0060407 -0.2276561 0.3438168 -0.2475372 -0.1985887 -0.0058909 0.1361849
10 -0.0008919 0.0191362 0.0008919 -0.0191361 0.5344344 0.1691927 0.0011062 -0.0692486 0.2563798 -0.0088043
11 0.0016284 -0.0040942 -0.0016284 0.0040942 -0.2103547 0.4097216 0.0784589 -0.1783939 -0.1350949 0.3576070
12 -0.0000384 0.0067082 0.0000384 -0.0067082 0.2734047 0.3227283 -0.0948034 0.2173968 0.3957779 0.1052586
13 0.0004984 -0.0009053 -0.0004984 0.0009053 -0.0812323 0.4034459 0.2048163 -0.0136631 -0.1347981 0.2571482
14 0.0000183 0.0018340 -0.0000183 -0.0018340 0.1094155 0.2154199 -0.0729114 0.2688426 0.2860759 0.0802126
15 0.0001368 -0.0002117 -0.0001368 0.0002118 -0.0402147 0.3676439 0.2979732 0.1249800 -0.1658812 -0.0675398
16 -0.0000006 0.0005503 0.0000006 -0.0005505 0.0589946 0.1098379 -0.2455645 0.3795416 0.0489569 0.0342595
17 -0.0000389 0.0000607 0.0000388 -0.0000605 0.0228745 -0.2755384 -0.3108102 -0.1627919 0.1155613 0.3429666
18 0.0000000 0.0001511 -0.0000000 -0.0001508 0.0312023 0.0577887 -0.2938245 0.3646569 -0.1958464 0.0396149
19 0.0000103 -0.0000213 -0.0000102 0.0000212 -0.0134539 0.1624698 0.2319552 0.1103398 -0.0324058 -0.4605512
20 -0.0000004 0.0000431 0.0000004 -0.0000424 0.0166857 0.0305310 -0.2924643 0.2937321 -0.3256223 0.0035139
21 -0.0000027 0.0000053 0.0000022 -0.0000045 0.0066936 -0.0855500 -0.1359733 -0.0603381 -0.0108538 0.3925653
22 -0.0000000 -0.0000130 0.0000000 0.0000105 -0.0070565 -0.0337295 0.2646563 -0.2348890 0.3616445 0.0896968
23 -0.0000006 0.0000006 0.0000000 0.0000000 0.0022353 -0.0314820 -0.0293338 -0.0331782 0.0179906 0.1760427
24 -0.0000000 -0.0000030 0.0000000 0.0000000 -0.0019310 -0.0175056 0.1052495 -0.0904590 0.1647871 0.0528047
11 12 13 14 15 16 17 18 19 20
1 0.0090390 -0.0805658 0.0139205 -0.1126786 0.0197147 -0.1010445 -0.0825158 0.0594680 0.0027288 -0.0519413
2 -0.0929906 0.0145856 -0.0823820 -0.0279866 -0.1453012 0.0161770 -0.0496614 -0.0051582 0.0308193 -0.0181611
3 -0.0440164 0.2461994 -0.0574220 0.4432272 -0.1028979 0.4937523 0.4073533 -0.3198608 -0.0183821 0.3058530
4 0.3006606 -0.0407881 0.2980078 0.1085178 0.7183149 -0.1005933 0.2793936 0.0260275 -0.1431292 0.1059398
5 -0.0410475 -0.3730178 -0.0197319 -0.2399447 -0.0315500 0.1924938 0.1540449 -0.2238420 -0.0087746 0.4403961
6 0.3962315 -0.0982050 0.3312928 0.0525171 -0.2870655 0.2252313 -0.2653029 -0.0563231 -0.0198271 -0.0791218
7 0.0074671 0.0735261 -0.0108061 0.3691489 -0.0538262 0.1122911 0.1509924 -0.0806700 -0.0779933 -0.6254698
8 0.0421507 -0.0238151 0.3094130 0.0639333 0.2004622 0.1297899 -0.1249057 -0.0163169 -0.1912374 -0.1089076
9 0.0493792 -0.3232926 0.0078175 -0.3191944 -0.0775577 0.1160187 0.1751157 -0.3741548 -0.1321586 -0.2494002
10 -0.2959501 -0.0263600 -0.1878437 -0.0769383 0.2829454 -0.0793348 0.1369553 -0.0708358 -0.1677577 -0.1367430
11 0.0009496 -0.1768403 -0.2081014 0.2235603 0.0162695 -0.0120472 0.2090773 0.1883781 0.2015481 -0.2718986
12 -0.0828300 -0.0971009 0.3729592 0.0179838 0.0121805 0.3493344 -0.2223314 0.0906731 -0.1935054 -0.0926524
13 -0.1040313 0.1199327 -0.1083965 0.2964494 0.0191800 -0.0383143 -0.2601212 0.2773931 -0.2052013 0.2766095
14 0.2387683 -0.0483581 0.2386381 0.1717682 -0.0540847 -0.2122356 0.0895343 -0.0102281 0.6284784 0.1094449
15 -0.0682448 0.4186850 0.1167218 -0.0990882 0.0178409 -0.1703099 -0.2158024 -0.3887164 -0.0798133 0.0341956
16 0.4362620 0.0316980 -0.1964950 0.0661239 -0.2632516 -0.3108841 0.1627659 -0.0329451 -0.3124401 0.0596162
17 -0.0567553 -0.1913635 -0.0715903 0.3418261 0.0113362 -0.0411070 -0.2631022 0.0427709 -0.1752528 0.1542576
18 0.1846254 0.1294863 -0.3780723 -0.1169800 0.1525093 0.1813179 -0.0741615 0.0305359 -0.1689958 -0.0292360
19 0.0708194 -0.2702717 -0.0321388 -0.0686823 -0.1094404 0.1933092 0.1967376 0.4799985 -0.1233612 0.0619248
20 -0.2021937 0.0349107 -0.1243160 -0.0633699 0.2537143 0.2997285 -0.1550721 0.0467521 0.4117320 -0.0408812
21 -0.0662645 0.4498875 0.2414925 -0.2667936 -0.1355772 0.0198849 0.2637859 0.1868045 -0.0366221 -0.0152540
22 0.4622052 0.1521457 -0.2815525 -0.1060716 0.1693655 0.1247657 -0.1016134 -0.0307628 0.0757545 -0.0178335
23 0.0190367 0.2636260 0.1168080 -0.2223201 -0.0902082 0.1452960 0.2291787 0.3790529 -0.0336321 0.0139641
24 0.2777165 0.1209236 -0.2011145 -0.1296175 0.1054139 0.3247084 -0.2302071 0.0239354 0.1345828 -0.0373095
21 22 23 24 25 26 27 28 29 30
1 0.0056404 0.0035400 0.0004962 -0.0000858 0.0000933 0.0002488 0.0197735 0.0356274 -0.0785108 0.0350646
2 -0.0277015 -0.0060426 0.0093222 -0.0017978 -0.0000247 -0.0006611 -0.0779026 0.0076892 -0.0066923 0.0599462
3 -0.0409086 -0.0326743 -0.0059832 -0.0000512 -0.0010607 -0.0009056 -0.0281694 -0.0785561 0.1413519 -0.0761318
4 0.1935874 0.0542838 -0.0595061 -0.0030512 0.0007504 0.0009394 0.0830463 -0.0061541 0.0070489 -0.1170607
5 -0.0774258 -0.0773605 -0.0470923 -0.0108822 -0.0014534 0.0028057 0.0672413 0.1526882 -0.4943892 0.2208884
6 -0.3434676 -0.1627509 0.0851501 0.0802841 -0.0026893 0.0167567 0.3284236 -0.0264823 0.0312802 -0.3066132
7 0.1764788 0.1259677 0.1973012 0.0579222 -0.0071425 -0.0100202 0.1266802 0.2651748 -0.4167507 0.2158197
8 -0.4130477 -0.2782194 0.1044341 0.1731393 -0.0073641 0.0592797 -0.6124900 0.0830920 -0.0141559 0.2697808
9 0.2347993 0.1849453 0.3533932 0.1315163 -0.0258995 -0.0263408 -0.2277468 -0.3487574 0.2751338 -0.1380987
10 -0.3463137 -0.3184649 0.2030296 0.2340697 -0.0239913 0.1093554 0.5346101 -0.1691450 0.0378906 -0.0182178
11 -0.1525238 -0.2792055 -0.3473065 -0.2361426 0.0427385 0.0570831 -0.2103505 -0.4184046 -0.0769235 -0.1959655
12 0.1366656 0.1510682 -0.3290487 -0.1995407 0.0625222 -0.1426608 0.2734382 -0.3274391 0.0916506 0.3262601
13 -0.0257956 0.3208064 0.2298627 0.3857833 -0.0666280 -0.0534619 -0.0811282 -0.4079942 -0.2354010 -0.0688474
14 -0.0403931 0.0600076 0.3248155 -0.0131957 -0.1087312 0.2012503 0.1095400 -0.2168913 0.0611661 0.3558870
15 0.2078164 -0.3372133 0.1323321 -0.3206137 0.0868954 0.0561909 -0.0401356 -0.3672417 -0.3487211 0.0277473
16 0.0946581 -0.2503461 -0.1859929 0.2643270 0.1391679 -0.2224926 0.0591258 -0.1082049 0.1952064 0.4494876
17 0.2661809 -0.2975248 0.3290736 -0.2804295 0.1491220 0.1158446 0.0222353 0.2664891 0.3349547 -0.0657352
18 -0.2608203 0.2487528 0.0911852 -0.3825048 -0.2120313 0.3267970 0.0307332 -0.0546270 0.1947273 0.3718085
19 0.1514519 -0.1363989 0.2858207 -0.1149384 0.3131636 0.1970481 -0.0125922 -0.1456418 -0.2234436 0.0349875
20 0.0908777 -0.1703590 0.0963401 0.1994936 0.3124150 -0.3579082 0.0159135 -0.0214199 0.1652031 0.2406533
21 -0.0590172 0.0933552 0.0073868 0.0902477 0.4830307 0.3195545 0.0042082 0.0528271 0.0845146 -0.0146252
22 -0.1700353 0.1210857 0.1746418 -0.1710840 0.3240153 -0.3765709 -0.0051324 0.0129455 -0.0984235 -0.1146472
23 0.1013970 -0.2751355 0.2346784 -0.1217907 -0.5574525 -0.3738072 0.0000000 0.0000000 0.0000000 0.0000000
24 0.3874679 -0.2319101 -0.1958995 0.3749067 -0.1944077 0.4393362 0.0000000 0.0000000 0.0000000 0.0000000
31 32 33 34 35 36 37 38 39 40
1 -0.0298598 0.0657640 -0.0288918 -0.1071925 -0.0115602 0.1061286 0.0093696 0.1250781 0.0023761 0.0065269
2 0.0940220 0.0085482 0.0989284 -0.0217548 0.0746059 -0.0175903 0.1433668 0.0103083 -0.0087009 -0.0403924
3 0.0903876 -0.1545756 0.0980129 0.3677179 0.0519749 -0.4727146 -0.0294586 -0.6357267 -0.0188783 -0.0378160
4 -0.2678259 -0.0158095 -0.3319319 0.0930015 -0.2993063 0.1088835 -0.7205512 -0.0590842 0.0810547 0.2185692
5 -0.1041159 0.4334722 -0.0516867 -0.3995092 0.0066989 0.0164927 0.0289802 -0.3270097 -0.0468675 -0.0843612
6 -0.4491099 -0.0523988 -0.4068194 -0.0069751 -0.2214432 -0.1628172 0.3576659 -0.0097063 -0.2498560 -0.1587478
7 -0.0849049 0.1251520 -0.0094479 0.2592049 0.0288449 -0.2967341 -0.0288150 -0.1422841 0.0720559 0.2545581
8 0.1628444 -0.0262067 -0.1687345 0.0339646 -0.3160104 -0.0410394 -0.1306068 0.0001896 -0.2829113 0.0084213
9 -0.0452008 0.1797398 -0.1015398 -0.4044915 0.0082293 0.1140059 0.0987614 -0.3785175 0.0177109 0.2574170
10 0.3229463 0.0607797 0.2531963 -0.0857341 0.0977819 0.1240866 -0.3123368 -0.0657258 -0.0762154 0.1240327
11 -0.1275640 0.3842293 -0.0046175 -0.0027235 0.2322710 -0.2335453 -0.1681623 0.0331124 0.2160560 -0.0984665
12 0.3211229 0.1203954 -0.0998449 -0.0802335 -0.4311853 -0.1843544 0.0949316 -0.0103859 -0.3052830 0.0565781
13 -0.0980443 0.2369903 0.1491609 0.2606822 0.0299653 -0.1557702 -0.0231295 0.3326598 -0.2599325 0.0055756
14 0.1452011 0.0682470 -0.3718391 0.1361506 -0.0536071 -0.0290128 0.0176378 0.0815749 0.4895976 -0.4413393
15 -0.0980629 -0.1881019 0.1565169 0.2840194 -0.1829925 0.3295947 0.1559419 -0.0116823 -0.0256394 0.1755835
16 -0.2069883 -0.0258402 -0.2780246 0.1302551 0.4034642 0.0676960 0.1432904 0.0481901 0.0866966 0.4534966
17 0.0544488 0.4479926 -0.0081840 0.0812385 0.0193360 -0.2618569 -0.0348208 0.3020779 -0.1633086 0.1543868
18 -0.3925590 -0.0398746 0.1463607 0.0186523 0.2592428 0.1153708 -0.1565940 -0.1020376 -0.4492446 -0.2025492
19 0.0402612 -0.4603530 -0.1279698 -0.3869442 0.1775277 -0.3497176 -0.1014791 0.1242749 -0.0739300 0.0468463
20 -0.3822084 -0.0292150 0.4332047 -0.1258625 -0.2257827 -0.1147623 -0.1503648 0.0161189 0.1413823 -0.3168675
21 -0.0348634 0.2260143 0.0723815 0.2296481 -0.1725304 0.3072054 0.1910071 -0.2184398 0.0674121 0.0008463
22 0.2218723 0.0575913 -0.3088226 0.1714252 0.3505080 0.2638600 -0.1649936 -0.1252089 -0.3510026 -0.3982820
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
41 42 43 44 45 46
1 -0.0519900 0.0064344 0.0064912 0.0002530 -0.0006429 -0.0000191
2 -0.0254812 -0.0157461 -0.0142535 0.0056660 -0.0001846 -0.0003093
3 0.3060946 -0.0427028 -0.0517956 -0.0053575 0.0039374 -0.0009426
4 0.1488858 0.0936285 0.1203296 -0.0459597 0.0026311 0.0063759
5 0.4326415 -0.0392507 -0.1122669 -0.0455829 0.0060774 -0.0042588
6 -0.1240865 -0.1212515 -0.3072479 0.1117125 -0.0153144 -0.0251928
7 -0.5768479 -0.0890723 0.2263200 0.1812485 0.0002368 0.0089134
8 -0.1332992 -0.1116865 -0.4678037 0.1777632 -0.0452468 -0.0683818
9 -0.1840373 -0.2006036 0.3106436 0.3466742 0.0294898 0.0203221
10 -0.1281573 -0.1658037 -0.4636296 0.2774313 -0.0708451 -0.1261169
11 -0.2959599 0.0537750 -0.2802935 -0.4434404 -0.0875695 -0.0521260
12 -0.1025863 0.1988388 0.1861570 -0.3545749 0.0441815 0.1793954
13 0.2512533 0.2521313 0.1078620 0.4960213 0.1359695 0.0504361
14 0.0661064 -0.1851665 0.1007997 0.2331443 -0.0018661 -0.2714360
15 0.1095244 -0.5297119 0.0628835 -0.2256346 -0.2070309 -0.0523563
16 0.1465636 0.0766392 -0.2618494 -0.0028162 -0.0582687 0.3200591
17 0.2073833 -0.4258763 0.1610367 -0.0630456 -0.3509297 -0.1077192
18 -0.1114309 0.0070304 0.1477529 -0.1170535 0.1067980 -0.4781117
19 0.0486213 0.0979347 0.1195553 0.0658925 -0.5572804 -0.1428487
20 -0.0673634 -0.1260547 -0.0276576 0.1305182 -0.2292302 0.5154767
21 -0.0550774 0.4897464 -0.0236169 0.0935516 -0.6167793 -0.1872075
22 -0.1137699 -0.1059792 0.1521893 0.0136894 -0.1982900 0.4478488
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Iter=13 L=4 The G Matrix
0 1 2 3
0 0.262476457706784 0.000194712101244 -0.000748378108182 0.000316312410665
1 0.000000000000000 0.333846403028010 -0.000553963792828 -0.002938245451453
2 0.000000000067969 0.000000000000051 1.877556874677076 -0.101843857601544
3 0.000000000013552 0.000000000007783 -0.102698001927968 1.528763391132837
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000005539231
Norm of residual vector 0 after precondition 0.0000005539231
1 0.2624764577 2.61e-14 5.54e-07 Y
Norm of residual vector 1 before precondition 0.0000032832312
Norm of residual vector 1 after precondition 0.0000032832312
2 0.3338464030 1.81e-14 3.28e-06 N
Norm of residual vector af preconditioning 0.0000007134313
Iter=14 L=5 resetting norm
SigmaSS, D(norm sigma)= 0.4212311403
FSD , D(norm sigma)= -0.0000303509
WamefSD, D(norm sigma)= -0.0124416173
WmnieSD, D(norm sigma)= 0.0145770490
WmaijDS, D(norm sigma)= 0.0103739690
WabejDS, D(norm sigma)= 0.0023394988
WnmjeDS, D(norm sigma)= -0.0000825124
WbmfeDS, D(norm sigma)= -0.0000388107
Fbe_FDD , D(norm sigma)= 1.5111421297
Fmj_DD, D(norm sigma)= 4.5973533788
WmnijDD, D(norm sigma)= 0.9426588649
WabefDD, D(norm sigma)= 0.2258692566
WmbejDD, D(norm sigma)= -0.9156803224
WmnefDD XAF, D(norm sigma)= 0.0004118745
WmnefDD XLI, D(norm sigma)= 0.0000014547
resetting norm
The G Matrix
0 1 2 3 4
0 0.262476457706784 0.000194712101244 -0.000748378108182 0.000316312410665 -0.000981467881852
1 0.000000000000000 0.333846403028010 -0.000553963792828 -0.002938245451453 -0.001975386594298
2 0.000000000067969 0.000000000000051 1.877556874677076 -0.101843857601544 -0.340653777254012
3 0.000000000013552 0.000000000007783 -0.102698001927968 1.528763391132837 1.081731898622096
4 -0.000000076136392 0.000002095697280 -0.339795837809575 1.082531767774036 3.543079125007456
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000005390546
Norm of residual vector 0 after precondition 0.0000005390546
1 0.2624764577 -4.49e-11 5.39e-07 Y
Norm of residual vector 1 before precondition 0.0000010258357
Norm of residual vector 1 after precondition 0.0000010258357
2 0.3338464025 -5.30e-10 1.03e-06 N
Norm of residual vector af preconditioning 0.0000002353803
Iter=15 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.5644849127
FSD , D(norm sigma)= -0.0003039882
WamefSD, D(norm sigma)= 0.0004813317
WmnieSD, D(norm sigma)= 0.0385504792
WmaijDS, D(norm sigma)= 0.0138589137
WabejDS, D(norm sigma)= 0.0079693296
WnmjeDS, D(norm sigma)= -0.0000197751
WbmfeDS, D(norm sigma)= -0.0000170525
Fbe_FDD , D(norm sigma)= 1.3265754035
Fmj_DD, D(norm sigma)= 5.9136728743
WmnijDD, D(norm sigma)= 1.1675450263
WabefDD, D(norm sigma)= 0.2032073912
WmbejDD, D(norm sigma)= -0.8122296545
WmnefDD XAF, D(norm sigma)= 0.0003790840
WmnefDD XLI, D(norm sigma)= 0.0000063587
resetting norm
The G Matrix
0 1 2 3 4
0 0.262476457706784 0.000194712101244 -0.000748378108182 0.000316312410665 -0.000981467881852
1 0.000000000000000 0.333846403028010 -0.000553963792828 -0.002938245451453 -0.001975386594298
2 0.000000000067969 0.000000000000051 1.877556874677076 -0.101843857601544 -0.340653777254012
3 0.000000000013552 0.000000000007783 -0.102698001927968 1.528763391132837 1.081731898622096
4 -0.000000076136392 0.000002095697280 -0.339795837809575 1.082531767774036 3.543079125007456
5 -0.000000089017353 0.000001183549585 -0.254205896814041 0.517477083562380 2.428324848108902
5
0 -0.000226285307762
1 0.002581558356587
2 -0.253727452039952
3 0.518044807225367
4 2.427254979270014
5 4.464558528517999
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000005430142
Norm of residual vector 0 after precondition 0.0000005430142
1 0.2624764577 7.39e-12 5.43e-07 Y
Norm of residual vector 1 before precondition 0.0000002853761
Norm of residual vector 1 after precondition 0.0000002853761
2 0.3338464035 9.84e-10 2.85e-07 Y
Collapsing to only 2 vector(s).
alpha
1 2 3 4 5 6
1 -1.0000000 0.0027282 0.0012146 -0.0004872 -0.0001555 -0.0001021
2 0.0000000 0.9999963 -0.0006189 -0.0019125 0.0020776 0.0000126
3 -0.0000000 -0.0000002 -0.0495295 0.8445018 0.5271374 -0.0874002
4 0.0000000 0.0000010 0.7647639 0.3675877 -0.4851394 0.2072164
5 -0.0000000 -0.0000012 -0.5782139 0.2927544 -0.4163424 0.6379364
6 -0.0000000 0.0000003 0.2799104 -0.2568791 0.5598398 0.7365187
alpha_old
1 2 3 4 5
1 -1.0000000 0.0027282 -0.0009160 -0.0005282 0.0001698
2 0.0000000 0.9999963 0.0025675 -0.0007528 0.0007636
3 -0.0000000 -0.0000002 0.0545942 0.9858977 0.1589305
4 0.0000000 0.0000009 -0.9128264 0.1122298 -0.3919894
5 -0.0000000 -0.0000010 0.4046727 0.1241342 -0.9061373
alpha_tot
1 2 3 4 5 6
1 -1.0000000 0.0027282 0.0012146 -0.0004872 -0.0001555 -0.0001021
2 0.0000000 0.9999963 -0.0006189 -0.0019125 0.0020776 0.0000126
3 -0.0000000 -0.0000002 -0.0495295 0.8445018 0.5271374 -0.0874002
4 0.0000000 0.0000010 0.7647639 0.3675877 -0.4851394 0.2072164
5 -0.0000000 -0.0000012 -0.5782139 0.2927544 -0.4163424 0.6379364
6 -0.0000000 0.0000003 0.2799104 -0.2568791 0.5598398 0.7365187
Procedure converged for 2 root(s).
Energy written to chkpt:Etot -38.6989011688
<R|R> = 1.0000000000000002
EOM CCSD R0 for root 0 = 0.00000000000
<R|R> = 1.0000000000000000
EOM CCSD R0 for root 1 = 0.00000000000
Final Energetic Summary for Converged Roots of Irrep B2
Excitation Energy Total Energy
(eV) (cm^-1) (au) (au)
EOM State 3 7.142 57606.9 0.2624764577 -38.7702711146
Largest components of excited wave function #3:
RIA alpha
3 13 0.1255154949
3 15 0.0322765577
3 14 -0.0244052718
1 8 0.0208647547
2 9 -0.0100491582
Ria beta
2 11 0.9495539123
2 12 0.1788797536
1 9 0.0265218471
2 14 -0.0062522532
1 10 0.0054746348
RIJAB alpha
4 3 15 13 0.0051120475
3 2 15 1 0.0036024522
3 2 13 2 0.0035357966
3 2 13 1 -0.0032080894
4 3 5 2 -0.0028604168
Rijab beta
2 1 11 2 -0.0306516175
2 1 11 3 0.0244203467
2 1 11 1 0.0171231308
2 1 13 0 0.0136651616
2 1 12 4 -0.0128181298
RIjAb alpha,beta
3 2 10 12 0.0656336421
4 1 2 11 -0.0538953707
2 1 14 11 0.0470659876
4 2 14 11 0.0468318280
3 1 8 11 0.0455415706
EOM State 4 9.084 73270.8 0.3338464035 -38.6989011688
Largest components of excited wave function #4:
RIA alpha
3 13 0.9491251100
3 15 0.1641926546
3 14 -0.0544498388
3 18 -0.0091584791
1 9 0.0088399557
Ria beta
2 11 -0.1340790338
2 12 -0.0121828396
1 10 0.0058899743
1 9 0.0052000330
2 13 0.0031128147
RIJAB alpha
4 3 15 13 0.0448324438
3 2 13 1 -0.0387837726
3 1 13 3 -0.0259245295
3 2 13 2 0.0252450841
3 1 13 0 0.0233872904
Rijab beta
2 1 11 2 0.0055081906
2 1 11 0 0.0052466170
2 1 11 1 -0.0034860877
2 1 11 3 -0.0033686576
2 1 13 0 -0.0025005014
RIjAb alpha,beta
3 2 13 15 -0.0711589504
3 2 0 0 -0.0668599437
1 1 13 11 -0.0663814944
3 1 13 0 -0.0612059007
3 1 13 1 0.0576082238
Symmetry of excited state: A1
Symmetry of right eigenvector: B1
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)= 1.2198474966
SigmaSS, D(norm sigma)= 0.5478220222
SigmaSS, D(norm sigma)= -0.9974163429
SigmaSS, D(norm sigma)= 0.5799594596
SigmaSS, D(norm sigma)= 9.4837890893
SigmaSS, D(norm sigma)= 0.3953965388
SigmaSS, D(norm sigma)= -10.5995704677
SigmaSS, D(norm sigma)= 0.5779422130
SigmaSS, D(norm sigma)= -0.8255912159
SigmaSS, D(norm sigma)= 0.3115293413
SigmaSS, D(norm sigma)= 0.6954241296
SigmaSS, D(norm sigma)= 0.8426353546
SigmaSS, D(norm sigma)= -0.8045209522
SigmaSS, D(norm sigma)= 0.8175310529
SigmaSS, D(norm sigma)= -1.8662238339
SigmaSS, D(norm sigma)= 0.2121106286
SigmaSS, D(norm sigma)= -0.2121106286
SigmaSS, D(norm sigma)= 0.2121106286
SigmaSS, D(norm sigma)= 0.4101002992
SigmaSS, D(norm sigma)= 0.2979639518
SigmaSS, D(norm sigma)= -0.9419636940
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= -0.2239652666
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= 0.6777960977
SigmaSS, D(norm sigma)= 0.4420413726
SigmaSS, D(norm sigma)= -1.3438027368
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= 0.6777960977
SigmaSS, D(norm sigma)= 0.4420413726
SigmaSS, D(norm sigma)= 0.0979859861
SigmaSS, D(norm sigma)= 1.0210191210
SigmaSS, D(norm sigma)= -2.4628078440
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= 0.6777960977
SigmaSS, D(norm sigma)= 0.4420413726
SigmaSS, D(norm sigma)= 0.0979859861
SigmaSS, D(norm sigma)= 1.0210191210
SigmaSS, D(norm sigma)= -0.0592215750
SigmaSS, D(norm sigma)= -0.4429390017
SigmaSS, D(norm sigma)= -1.9606472673
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= 0.6777960977
SigmaSS, D(norm sigma)= 0.4420413726
SigmaSS, D(norm sigma)= 0.0979859861
SigmaSS, D(norm sigma)= 1.0210191210
SigmaSS, D(norm sigma)= -0.0592215750
SigmaSS, D(norm sigma)= -0.4429390017
SigmaSS, D(norm sigma)= 5.1674908968
SigmaSS, D(norm sigma)= -1.3926169235
SigmaSS, D(norm sigma)= -5.7355212406
SigmaSS, D(norm sigma)= 0.2239652666
SigmaSS, D(norm sigma)= 0.6777960977
SigmaSS, D(norm sigma)= 0.4420413726
SigmaSS, D(norm sigma)= 0.0979859861
SigmaSS, D(norm sigma)= 1.0210191210
SigmaSS, D(norm sigma)= -0.0592215750
SigmaSS, D(norm sigma)= -0.4429390017
SigmaSS, D(norm sigma)= 5.1674908968
SigmaSS, D(norm sigma)= -1.3926169235
SigmaSS, D(norm sigma)= 0.7606112330
SigmaSS, D(norm sigma)= 1.2849479375
SigmaSS, D(norm sigma)= -7.7814582343
SigmaSS, D(norm sigma)= 0.2228495619
SigmaSS, D(norm sigma)= -0.2228495619
SigmaSS, D(norm sigma)= 0.2228495619
SigmaSS, D(norm sigma)= 1.5062745163
SigmaSS, D(norm sigma)= -1.7291240782
SigmaSS, D(norm sigma)= 0.2228495619
SigmaSS, D(norm sigma)= 1.5062745163
SigmaSS, D(norm sigma)= 1.7364995631
Done.
DPD File2: CME 0
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 2
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 3
Irrep: 1 row = 0 col = 6
Irrep: 2 row = 1 col = 8
Irrep: 3 row = 1 col = 2
File 141 DPD File2: CME 0
Matrix for Irrep 0
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 0) -0.000052243801634 -0.000246201517967 -0.000192588128122
1 ( 1) -0.026772933307925 -0.005727078460559 -0.007541386395493
2 ( 2) 0.012443418949688 0.005115944321094 0.001830128855250
File 141 DPD File2: CME 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
File 141 DPD File2: CME 0
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 3) 0.983951339906454 -0.015330392906897 0.092863638506827 -0.104629525689237 0.005238009742215 -0.010067550344595 -0.002575710937764 -0.010713861578826
File 141 DPD File2: CME 0
Matrix for Irrep 3
----------------------------------------
0 1
( 8) ( 9)
0 ( 4) -0.003330760215113 0.001075122963680
DPD File2: Cme 0
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 2
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 4
Irrep: 1 row = 0 col = 6
Irrep: 2 row = 0 col = 9
Irrep: 3 row = 1 col = 2
File 142 DPD File2: Cme 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
0 ( 0) 0.000438362145463 0.000821671334430 0.000030759704835 -0.000183350994444
1 ( 1) 0.095220425510598 0.037450657792510 -0.006878911502287 -0.005938492354397
File 142 DPD File2: Cme 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
File 142 DPD File2: Cme 0
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
File 142 DPD File2: Cme 0
Matrix for Irrep 3
----------------------------------------
0 1
( 9) ( 10)
0 ( 2) 0.013921339561754 0.005795542806861
DPD File2: CME 1
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 2
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 3
Irrep: 1 row = 0 col = 6
Irrep: 2 row = 1 col = 8
Irrep: 3 row = 1 col = 2
File 141 DPD File2: CME 1
Matrix for Irrep 0
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
0 ( 0) 0.001373186804817 -0.000036040831234 0.000280782181411
1 ( 1) 0.029385698011230 0.018079459487370 -0.000800230479691
2 ( 2) -0.028503874624856 0.062276988139107 0.004769901132255
File 141 DPD File2: CME 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
File 141 DPD File2: CME 1
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 3) 0.110760843703954 -0.105160001169586 -0.138305178203319 -0.009440334108230 0.046166560957029 0.040121286102173 0.000491870086028 -0.000436521637539
File 141 DPD File2: CME 1
Matrix for Irrep 3
----------------------------------------
0 1
( 8) ( 9)
0 ( 4) -0.065537878490802 -0.003750835824665
DPD File2: Cme 1
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 2
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 4
Irrep: 1 row = 0 col = 6
Irrep: 2 row = 0 col = 9
Irrep: 3 row = 1 col = 2
File 142 DPD File2: Cme 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
0 ( 0) 0.001224829610181 0.002244253892697 0.000558466191634 -0.000279665356505
1 ( 1) -0.957236009985385 -0.155822071527003 0.017405663033319 0.007522952493439
File 142 DPD File2: Cme 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
File 142 DPD File2: Cme 1
Matrix for Irrep 2
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
File 142 DPD File2: Cme 1
Matrix for Irrep 3
----------------------------------------
0 1
( 9) ( 10)
0 ( 2) -0.049995827582288 -0.007154503143006
resetting norm
Iter=1 L=2 resetting norm
SigmaSS, D(norm sigma)= 0.3563872467
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0836716519
WabejDS, D(norm sigma)= 0.0287690349
WnmjeDS, D(norm sigma)= 0.0007214963
WbmfeDS, D(norm sigma)= 0.0009336171
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.5792368392
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0693572515
WabejDS, D(norm sigma)= 0.0356216327
WnmjeDS, D(norm sigma)= 0.0015057394
WbmfeDS, D(norm sigma)= 0.0004562265
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
The G Matrix
0 1
0 0.356387246705093 -0.000078105651007
1 0.000000000000000 0.579236833940439
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.3071521249894
Norm of residual vector 0 after precondition 0.3071521249894
1 0.3563872467 3.56e-01 3.07e-01 N
Norm of residual vector af preconditioning 0.1533649522906
Norm of residual vector 1 before precondition 0.3678687949651
Norm of residual vector 1 after precondition 0.3678687949651
2 0.5792368339 5.79e-01 3.68e-01 N
Norm of residual vector af preconditioning 0.1543005905691
Iter=2 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.0000079038
FSD , D(norm sigma)= 0.0005795719
WamefSD, D(norm sigma)= 0.1214285908
WmnieSD, D(norm sigma)= 0.1963546398
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 0.9280573021
Fmj_DD, D(norm sigma)= 1.1132215590
WmnijDD, D(norm sigma)= 0.4502941200
WabefDD, D(norm sigma)= 0.3747903684
WmbejDD, D(norm sigma)= -1.3597197750
WmnefDD XAF, D(norm sigma)= 0.0078147479
WmnefDD XLI, D(norm sigma)= 0.0006232791
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000151985
FSD , D(norm sigma)= 0.0013441647
WamefSD, D(norm sigma)= 0.2897644864
WmnieSD, D(norm sigma)= 0.1065833001
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= -0.0000000000
WbmfeDS, D(norm sigma)= -0.0000000000
Fbe_FDD , D(norm sigma)= 1.2655884898
Fmj_DD, D(norm sigma)= 1.2942524457
WmnijDD, D(norm sigma)= 0.4834206200
WabefDD, D(norm sigma)= 0.5108807624
WmbejDD, D(norm sigma)= -1.6534067063
WmnefDD XAF, D(norm sigma)= 0.0072940474
WmnefDD XLI, D(norm sigma)= 0.0016060225
resetting norm
The G Matrix
0 1 2 3
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0713459540443
Norm of residual vector 0 after precondition 0.0713459540443
1 0.2910147198 -6.54e-02 7.13e-02 N
Norm of residual vector af preconditioning 0.0292026162426
Norm of residual vector 1 before precondition 0.0942385136006
Norm of residual vector 1 after precondition 0.0942385136006
2 0.4989453734 -8.03e-02 9.42e-02 N
Norm of residual vector af preconditioning 0.0425877695616
Iter=3 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.5269888304
FSD , D(norm sigma)= -0.0001701180
WamefSD, D(norm sigma)= -0.0178641782
WmnieSD, D(norm sigma)= 0.0282398925
WmaijDS, D(norm sigma)= 0.0089749186
WabejDS, D(norm sigma)= -0.0024439458
WnmjeDS, D(norm sigma)= -0.0000266407
WbmfeDS, D(norm sigma)= -0.0000804065
Fbe_FDD , D(norm sigma)= 1.0616250247
Fmj_DD, D(norm sigma)= 1.1653191019
WmnijDD, D(norm sigma)= 0.4098110044
WabefDD, D(norm sigma)= 0.3475457520
WmbejDD, D(norm sigma)= -1.4076668353
WmnefDD XAF, D(norm sigma)= 0.0019944539
WmnefDD XLI, D(norm sigma)= 0.0000469584
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8090807022
FSD , D(norm sigma)= 0.0002505996
WamefSD, D(norm sigma)= 0.0290065616
WmnieSD, D(norm sigma)= -0.0091317673
WmaijDS, D(norm sigma)= 0.0141361773
WabejDS, D(norm sigma)= 0.0039452704
WnmjeDS, D(norm sigma)= 0.0000463754
WbmfeDS, D(norm sigma)= 0.0002649824
Fbe_FDD , D(norm sigma)= 0.8732838598
Fmj_DD, D(norm sigma)= 1.1018513518
WmnijDD, D(norm sigma)= 0.3621082892
WabefDD, D(norm sigma)= 0.3405678552
WmbejDD, D(norm sigma)= -1.2042680264
WmnefDD XAF, D(norm sigma)= 0.0026504223
WmnefDD XLI, D(norm sigma)= 0.0006571842
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
5
0 -0.001718000999366
1 0.076489543364813
2 0.006577447772901
3 -0.690086656331306
4 -0.076481279759517
5 1.802477260939852
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0279514494518
Norm of residual vector 0 after precondition 0.0279514494518
1 0.2874134882 -3.60e-03 2.80e-02 N
Norm of residual vector af preconditioning 0.0108271732784
Norm of residual vector 1 before precondition 0.0407078284941
Norm of residual vector 1 after precondition 0.0407078284941
2 0.4921690162 -6.78e-03 4.07e-02 N
Norm of residual vector af preconditioning 0.0164210269039
Iter=4 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.6085945038
FSD , D(norm sigma)= -0.0001980175
WamefSD, D(norm sigma)= 0.0252974284
WmnieSD, D(norm sigma)= 0.0246894984
WmaijDS, D(norm sigma)= 0.0070199811
WabejDS, D(norm sigma)= -0.0006059487
WnmjeDS, D(norm sigma)= -0.0000099669
WbmfeDS, D(norm sigma)= 0.0000039055
Fbe_FDD , D(norm sigma)= 1.1632840574
Fmj_DD, D(norm sigma)= 1.3492369487
WmnijDD, D(norm sigma)= 0.4027295885
WabefDD, D(norm sigma)= 0.3577037888
WmbejDD, D(norm sigma)= -1.2302717788
WmnefDD XAF, D(norm sigma)= 0.0008032098
WmnefDD XLI, D(norm sigma)= 0.0001254344
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7342069509
FSD , D(norm sigma)= 0.0002012309
WamefSD, D(norm sigma)= 0.0434876307
WmnieSD, D(norm sigma)= 0.0463618302
WmaijDS, D(norm sigma)= 0.0077067004
WabejDS, D(norm sigma)= 0.0022572478
WnmjeDS, D(norm sigma)= 0.0000644037
WbmfeDS, D(norm sigma)= -0.0000198973
Fbe_FDD , D(norm sigma)= 0.9613243892
Fmj_DD, D(norm sigma)= 1.4476790656
WmnijDD, D(norm sigma)= 0.4281241480
WabefDD, D(norm sigma)= 0.3427337727
WmbejDD, D(norm sigma)= -1.2410299642
WmnefDD XAF, D(norm sigma)= 0.0013027355
WmnefDD XLI, D(norm sigma)= 0.0002547676
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
5 6 7
0 -0.001718000999366 -0.000361116582139 0.002014929084951
1 0.076489543364813 0.000460745787249 -0.001165538307577
2 0.006577447772901 -0.093032253934147 0.001512683510309
3 -0.690086656331306 0.000609333243932 -0.072904175356546
4 -0.076481279759517 0.765029609011277 -0.082583028342069
5 1.802477260939852 0.073004865486643 0.672761255318733
6 0.072555882763578 1.864542581117796 -0.135757611025317
7 0.670520827873694 -0.135405625032503 1.882272567055931
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0130319104819
Norm of residual vector 0 after precondition 0.0130319104819
1 0.2869813660 -4.32e-04 1.30e-02 N
Norm of residual vector af preconditioning 0.0050669814703
Norm of residual vector 1 before precondition 0.0254299956490
Norm of residual vector 1 after precondition 0.0254299956490
2 0.4909521389 -1.22e-03 2.54e-02 N
Norm of residual vector af preconditioning 0.0093731292330
Iter=5 L=10 resetting norm
SigmaSS, D(norm sigma)= 0.6778231931
FSD , D(norm sigma)= -0.0001516316
WamefSD, D(norm sigma)= 0.0656898973
WmnieSD, D(norm sigma)= 0.0378990546
WmaijDS, D(norm sigma)= 0.0115855180
WabejDS, D(norm sigma)= 0.0099981735
WnmjeDS, D(norm sigma)= 0.0001040939
WbmfeDS, D(norm sigma)= -0.0000145466
Fbe_FDD , D(norm sigma)= 1.1234140163
Fmj_DD, D(norm sigma)= 1.6135630808
WmnijDD, D(norm sigma)= 0.4229314259
WabefDD, D(norm sigma)= 0.3474783731
WmbejDD, D(norm sigma)= -1.0469502360
WmnefDD XAF, D(norm sigma)= 0.0008119294
WmnefDD XLI, D(norm sigma)= 0.0006887805
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8647493306
FSD , D(norm sigma)= -0.0000281552
WamefSD, D(norm sigma)= 0.0416833338
WmnieSD, D(norm sigma)= 0.0657232652
WmaijDS, D(norm sigma)= 0.0058642352
WabejDS, D(norm sigma)= 0.0010031446
WnmjeDS, D(norm sigma)= 0.0000163691
WbmfeDS, D(norm sigma)= 0.0000141340
Fbe_FDD , D(norm sigma)= 1.0518143513
Fmj_DD, D(norm sigma)= 2.0072493901
WmnijDD, D(norm sigma)= 0.5318422269
WabefDD, D(norm sigma)= 0.3375536944
WmbejDD, D(norm sigma)= -1.1661576992
WmnefDD XAF, D(norm sigma)= 0.0017069197
WmnefDD XLI, D(norm sigma)= 0.0002960517
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0053978154640
Norm of residual vector 0 after precondition 0.0053978154640
1 0.2868900761 -9.13e-05 5.40e-03 N
Norm of residual vector af preconditioning 0.0020897601268
Norm of residual vector 1 before precondition 0.0164129961819
Norm of residual vector 1 after precondition 0.0164129961819
2 0.4904818771 -4.70e-04 1.64e-02 N
Norm of residual vector af preconditioning 0.0056807423311
Iter=6 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.6063252187
FSD , D(norm sigma)= -0.0000664425
WamefSD, D(norm sigma)= 0.0378658432
WmnieSD, D(norm sigma)= 0.0521216804
WmaijDS, D(norm sigma)= 0.0083833889
WabejDS, D(norm sigma)= 0.0056648478
WnmjeDS, D(norm sigma)= -0.0000003790
WbmfeDS, D(norm sigma)= -0.0000471791
Fbe_FDD , D(norm sigma)= 0.9936172287
Fmj_DD, D(norm sigma)= 1.6048266242
WmnijDD, D(norm sigma)= 0.4691375367
WabefDD, D(norm sigma)= 0.3588577656
WmbejDD, D(norm sigma)= -1.0667469101
WmnefDD XAF, D(norm sigma)= 0.0005876116
WmnefDD XLI, D(norm sigma)= 0.0002395085
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.1183130283
FSD , D(norm sigma)= -0.0002015603
WamefSD, D(norm sigma)= 0.0130876717
WmnieSD, D(norm sigma)= 0.0740878039
WmaijDS, D(norm sigma)= 0.0104678767
WabejDS, D(norm sigma)= 0.0030768530
WnmjeDS, D(norm sigma)= -0.0000106259
WbmfeDS, D(norm sigma)= 0.0000027187
Fbe_FDD , D(norm sigma)= 0.8646117381
Fmj_DD, D(norm sigma)= 2.3623425263
WmnijDD, D(norm sigma)= 0.6040830527
WabefDD, D(norm sigma)= 0.2856236288
WmbejDD, D(norm sigma)= -0.9834026435
WmnefDD XAF, D(norm sigma)= 0.0008755793
WmnefDD XLI, D(norm sigma)= 0.0000488863
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
10 11
0 -0.009315900528487 0.009497458029997
1 -0.005721420984722 0.009988286334825
2 0.080308473521764 -0.041906230648987
3 0.020888205946161 -0.042987177459826
4 -0.136174369381200 0.029749526954450
5 -0.021160721797635 0.032039393826440
6 -0.249315482399145 0.008979307445598
7 -0.051536999612546 -0.195629360435012
8 0.868039429307556 0.111571351087914
9 0.117860942290827 0.984006385107829
10 1.878398167489947 0.168848278002882
11 0.167863587708507 2.513984891611321
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0022067053991
Norm of residual vector 0 after precondition 0.0022067053991
1 0.2868891168 -9.59e-07 2.21e-03 N
Norm of residual vector af preconditioning 0.0007669548440
Norm of residual vector 1 before precondition 0.0092750241379
Norm of residual vector 1 after precondition 0.0092750241379
2 0.4903324071 -1.49e-04 9.28e-03 N
Norm of residual vector af preconditioning 0.0034308446465
Iter=7 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.5129610475
FSD , D(norm sigma)= -0.0000727872
WamefSD, D(norm sigma)= 0.0133117913
WmnieSD, D(norm sigma)= 0.0489051712
WmaijDS, D(norm sigma)= 0.0046828345
WabejDS, D(norm sigma)= 0.0010944830
WnmjeDS, D(norm sigma)= -0.0000110486
WbmfeDS, D(norm sigma)= -0.0000167863
Fbe_FDD , D(norm sigma)= 1.3934228863
Fmj_DD, D(norm sigma)= 1.8519131702
WmnijDD, D(norm sigma)= 0.5477799844
WabefDD, D(norm sigma)= 0.3816235593
WmbejDD, D(norm sigma)= -1.1770129800
WmnefDD XAF, D(norm sigma)= 0.0009694768
WmnefDD XLI, D(norm sigma)= 0.0000604402
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.2781684798
FSD , D(norm sigma)= -0.0001783081
WamefSD, D(norm sigma)= 0.0268610777
WmnieSD, D(norm sigma)= 0.1111368147
WmaijDS, D(norm sigma)= 0.0065197916
WabejDS, D(norm sigma)= 0.0031254080
WnmjeDS, D(norm sigma)= 0.0000085450
WbmfeDS, D(norm sigma)= -0.0000067098
Fbe_FDD , D(norm sigma)= 0.9596347508
Fmj_DD, D(norm sigma)= 3.5327929827
WmnijDD, D(norm sigma)= 0.8240921834
WabefDD, D(norm sigma)= 0.2751968109
WmbejDD, D(norm sigma)= -1.0264505346
WmnefDD XAF, D(norm sigma)= 0.0009154032
WmnefDD XLI, D(norm sigma)= 0.0000576125
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
10 11 12 13
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0007489621639
Norm of residual vector 0 after precondition 0.0007489621639
1 0.2868883850 -7.32e-07 7.49e-04 N
Norm of residual vector af preconditioning 0.0002435606249
Norm of residual vector 1 before precondition 0.0048618470067
Norm of residual vector 1 after precondition 0.0048618470067
2 0.4902724511 -6.00e-05 4.86e-03 N
Norm of residual vector af preconditioning 0.0018022119464
Iter=8 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.4454559895
FSD , D(norm sigma)= -0.0000522698
WamefSD, D(norm sigma)= 0.0173286507
WmnieSD, D(norm sigma)= 0.0039943992
WmaijDS, D(norm sigma)= 0.0107358247
WabejDS, D(norm sigma)= 0.0034356911
WnmjeDS, D(norm sigma)= -0.0000000500
WbmfeDS, D(norm sigma)= 0.0001094667
Fbe_FDD , D(norm sigma)= 1.3732288512
Fmj_DD, D(norm sigma)= 2.1021021199
WmnijDD, D(norm sigma)= 0.5243749149
WabefDD, D(norm sigma)= 0.3331313547
WmbejDD, D(norm sigma)= -1.1202271178
WmnefDD XAF, D(norm sigma)= 0.0007170024
WmnefDD XLI, D(norm sigma)= 0.0000828758
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.1178174081
FSD , D(norm sigma)= -0.0001055185
WamefSD, D(norm sigma)= 0.0214944350
WmnieSD, D(norm sigma)= 0.1118879609
WmaijDS, D(norm sigma)= 0.0077514541
WabejDS, D(norm sigma)= 0.0023666653
WnmjeDS, D(norm sigma)= 0.0000279559
WbmfeDS, D(norm sigma)= 0.0001130657
Fbe_FDD , D(norm sigma)= 0.8118489113
Fmj_DD, D(norm sigma)= 4.2040197827
WmnijDD, D(norm sigma)= 0.9014342627
WabefDD, D(norm sigma)= 0.2407259214
WmbejDD, D(norm sigma)= -0.9812271891
WmnefDD XAF, D(norm sigma)= 0.0005241577
WmnefDD XLI, D(norm sigma)= 0.0000842651
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
14 0.006011145207357 0.005314116324083 -0.027874934443418 -0.033627963802435 -0.008725419233226
15 0.008006773224726 -0.008681323463380 -0.037232021060416 0.067048719259166 0.043871637841352
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
14 0.048080905644175 -0.066990788503230 0.063288429189305 0.087186810307563 -0.117361485979349
15 -0.149209312034637 0.086554148826542 -0.284123319617276 -0.047822640565432 0.435901755033740
10 11 12 13 14
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311 0.006974685964762
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779 0.006565196251721
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012 -0.030261619122441
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534 -0.035051502678497
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959 -0.007545305365376
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050 0.047969650708335
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606 -0.067047227156710
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723 0.063908326496366
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621 0.088846685356880
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080 -0.118651773522963
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367 -0.130810811255700
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067 -0.185344118982834
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526 0.997324906685669
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761 -0.112818854000905
14 -0.131440513877512 -0.184688718897415 0.998901777336376 -0.112357751729446 2.375599280524455
15 -0.085393418460061 0.809291456871349 0.047189827681482 1.869237254172263 0.113474195493379
15
0 0.008464874614446
1 -0.009181852522955
2 -0.037914652029439
3 0.069582374453290
4 0.043948812957522
5 -0.148846751703239
6 0.086210159516646
7 -0.285747272200866
8 -0.046674730279404
9 0.438568305674949
10 -0.085355763001274
11 0.808856423675051
12 0.046412166254285
13 1.869850487041811
14 0.111768914996713
15 3.336136483922748
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0002194531404
Norm of residual vector 0 after precondition 0.0002194531404
1 0.2868883944 9.39e-09 2.19e-04 N
Norm of residual vector af preconditioning 0.0000649387803
Norm of residual vector 1 before precondition 0.0022145355081
Norm of residual vector 1 after precondition 0.0022145355081
2 0.4902570009 -1.55e-05 2.21e-03 N
Norm of residual vector af preconditioning 0.0007078533196
Iter=9 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.4092288413
FSD , D(norm sigma)= -0.0000107676
WamefSD, D(norm sigma)= 0.0133743764
WmnieSD, D(norm sigma)= -0.0016055697
WmaijDS, D(norm sigma)= 0.0069428433
WabejDS, D(norm sigma)= 0.0014306286
WnmjeDS, D(norm sigma)= 0.0000265812
WbmfeDS, D(norm sigma)= 0.0000585336
Fbe_FDD , D(norm sigma)= 1.6089022577
Fmj_DD, D(norm sigma)= 2.8118916462
WmnijDD, D(norm sigma)= 0.6306414021
WabefDD, D(norm sigma)= 0.3288980491
WmbejDD, D(norm sigma)= -1.1643121438
WmnefDD XAF, D(norm sigma)= 0.0006597789
WmnefDD XLI, D(norm sigma)= 0.0000615684
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.1633844747
FSD , D(norm sigma)= -0.0001331480
WamefSD, D(norm sigma)= 0.0089766858
WmnieSD, D(norm sigma)= 0.1406304544
WmaijDS, D(norm sigma)= 0.0031260465
WabejDS, D(norm sigma)= 0.0000706264
WnmjeDS, D(norm sigma)= -0.0000038293
WbmfeDS, D(norm sigma)= -0.0000012620
Fbe_FDD , D(norm sigma)= 1.0371476433
Fmj_DD, D(norm sigma)= 5.7743243590
WmnijDD, D(norm sigma)= 1.1726356553
WabefDD, D(norm sigma)= 0.2628382925
WmbejDD, D(norm sigma)= -1.1118163311
WmnefDD XAF, D(norm sigma)= 0.0005960956
WmnefDD XLI, D(norm sigma)= 0.0000232768
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
14 0.006011145207357 0.005314116324083 -0.027874934443418 -0.033627963802435 -0.008725419233226
15 0.008006773224726 -0.008681323463380 -0.037232021060416 0.067048719259166 0.043871637841352
16 -0.001544100681378 0.005661277941155 0.017284524561077 -0.019033042126455 -0.065532168262120
17 -0.010909042256352 -0.000550615671347 0.045325709645177 0.040193733169234 0.024006611820574
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
14 0.048080905644175 -0.066990788503230 0.063288429189305 0.087186810307563 -0.117361485979349
15 -0.149209312034637 0.086554148826542 -0.284123319617276 -0.047822640565432 0.435901755033740
16 -0.024090883052716 -0.128904781768690 -0.038368606931908 0.222321924208156 -0.007332107794445
17 -0.160353301573443 0.072378399061143 -0.293381897737810 -0.103889812423764 0.548579669148164
10 11 12 13 14
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311 0.006974685964762
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779 0.006565196251721
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012 -0.030261619122441
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534 -0.035051502678497
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959 -0.007545305365376
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050 0.047969650708335
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606 -0.067047227156710
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723 0.063908326496366
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621 0.088846685356880
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080 -0.118651773522963
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367 -0.130810811255700
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067 -0.185344118982834
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526 0.997324906685669
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761 -0.112818854000905
14 -0.131440513877512 -0.184688718897415 0.998901777336376 -0.112357751729446 2.375599280524455
15 -0.085393418460061 0.809291456871349 0.047189827681482 1.869237254172263 0.113474195493379
16 0.262522317236636 -0.048041277169899 -0.478843883299547 -0.067742278855846 -1.224205920523196
17 -0.150258928872549 0.774313926795783 0.227170011480585 1.433508387440792 0.278902247272803
15 16 17
0 0.008464874614446 -0.002223232427793 -0.011742040783844
1 -0.009181852522955 0.005717104307610 0.000869394198135
2 -0.037914652029439 0.017842663913100 0.043525411241131
3 0.069582374453290 -0.019445414306312 0.040259627123532
4 0.043948812957522 -0.065885340198795 0.023956384402860
5 -0.148846751703239 -0.022474898546852 -0.157201859385230
6 0.086210159516646 -0.129334700615831 0.071854852153282
7 -0.285747272200866 -0.038211354699836 -0.293488861553342
8 -0.046674730279404 0.224385983384366 -0.103046629697729
9 0.438568305674949 -0.007654453281942 0.548718090658819
10 -0.085355763001274 0.262268761672978 -0.149309177242072
11 0.808856423675051 -0.049704792494099 0.771370252010415
12 0.046412166254285 -0.479952735725600 0.226363803430376
13 1.869850487041811 -0.066846672110864 1.435883672052687
14 0.111768914996713 -1.224858039530104 0.276869939609623
15 3.336136483922748 -0.183870781994857 2.406103510670985
16 -0.186417283143894 2.880948511533301 -0.520758838361711
17 2.402237786701186 -0.519652255049885 4.735546976147777
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000622032359
Norm of residual vector 0 after precondition 0.0000622032359
1 0.2868885035 1.09e-07 6.22e-05 N
Norm of residual vector af preconditioning 0.0000164327979
Norm of residual vector 1 before precondition 0.0008946134715
Norm of residual vector 1 after precondition 0.0008946134715
2 0.4902541559 -2.84e-06 8.95e-04 N
Norm of residual vector af preconditioning 0.0002407000559
Iter=10 L=20 resetting norm
SigmaSS, D(norm sigma)= 0.5778668824
FSD , D(norm sigma)= -0.0001187306
WamefSD, D(norm sigma)= 0.0076346696
WmnieSD, D(norm sigma)= 0.0353296204
WmaijDS, D(norm sigma)= 0.0048128405
WabejDS, D(norm sigma)= 0.0011709996
WnmjeDS, D(norm sigma)= -0.0000092860
WbmfeDS, D(norm sigma)= -0.0000209091
Fbe_FDD , D(norm sigma)= 1.4099642232
Fmj_DD, D(norm sigma)= 3.4756816371
WmnijDD, D(norm sigma)= 0.7301241377
WabefDD, D(norm sigma)= 0.2877619152
WmbejDD, D(norm sigma)= -1.1319197670
WmnefDD XAF, D(norm sigma)= 0.0004055533
WmnefDD XLI, D(norm sigma)= 0.0000904890
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.3836219648
FSD , D(norm sigma)= -0.0001727064
WamefSD, D(norm sigma)= 0.0036684570
WmnieSD, D(norm sigma)= 0.1489747236
WmaijDS, D(norm sigma)= 0.0062263200
WabejDS, D(norm sigma)= 0.0007994164
WnmjeDS, D(norm sigma)= 0.0000095654
WbmfeDS, D(norm sigma)= -0.0000202867
Fbe_FDD , D(norm sigma)= 0.7962210056
Fmj_DD, D(norm sigma)= 6.8518882176
WmnijDD, D(norm sigma)= 1.3380065311
WabefDD, D(norm sigma)= 0.2310902677
WmbejDD, D(norm sigma)= -1.0389109457
WmnefDD XAF, D(norm sigma)= 0.0002191072
WmnefDD XLI, D(norm sigma)= 0.0000252515
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
14 0.006011145207357 0.005314116324083 -0.027874934443418 -0.033627963802435 -0.008725419233226
15 0.008006773224726 -0.008681323463380 -0.037232021060416 0.067048719259166 0.043871637841352
16 -0.001544100681378 0.005661277941155 0.017284524561077 -0.019033042126455 -0.065532168262120
17 -0.010909042256352 -0.000550615671347 0.045325709645177 0.040193733169234 0.024006611820574
18 -0.011781402149352 -0.003793899922675 0.071089195292269 0.013331345749857 -0.095644596872505
19 -0.001325480893253 -0.010218382758668 0.000420719039311 0.063899126146515 0.067779505655305
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
14 0.048080905644175 -0.066990788503230 0.063288429189305 0.087186810307563 -0.117361485979349
15 -0.149209312034637 0.086554148826542 -0.284123319617276 -0.047822640565432 0.435901755033740
16 -0.024090883052716 -0.128904781768690 -0.038368606931908 0.222321924208156 -0.007332107794445
17 -0.160353301573443 0.072378399061143 -0.293381897737810 -0.103889812423764 0.548579669148164
18 0.010418884968237 -0.042698532691517 0.057885120009667 -0.131924145296647 -0.035965660451656
19 -0.109730359481461 0.242585561826403 -0.282419836544809 -0.422770515698466 0.681276294764055
10 11 12 13 14
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311 0.006974685964762
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779 0.006565196251721
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012 -0.030261619122441
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534 -0.035051502678497
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959 -0.007545305365376
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050 0.047969650708335
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606 -0.067047227156710
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723 0.063908326496366
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621 0.088846685356880
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080 -0.118651773522963
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367 -0.130810811255700
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067 -0.185344118982834
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526 0.997324906685669
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761 -0.112818854000905
14 -0.131440513877512 -0.184688718897415 0.998901777336376 -0.112357751729446 2.375599280524455
15 -0.085393418460061 0.809291456871349 0.047189827681482 1.869237254172263 0.113474195493379
16 0.262522317236636 -0.048041277169899 -0.478843883299547 -0.067742278855846 -1.224205920523196
17 -0.150258928872549 0.774313926795783 0.227170011480585 1.433508387440792 0.278902247272803
18 -0.255607756959860 -0.035076283711738 0.367922955954203 -0.034804396514389 0.537726887711208
19 -0.370594519415897 0.964710009117623 0.284749595607703 1.498587717638270 0.214295435384590
15 16 17 18 19
0 0.008464874614446 -0.002223232427793 -0.011742040783844 -0.014869215116790 -0.002802444763003
1 -0.009181852522955 0.005717104307610 0.000869394198135 -0.003205556456640 -0.009277368257800
2 -0.037914652029439 0.017842663913100 0.043525411241131 0.071332703728106 0.002390290329067
3 0.069582374453290 -0.019445414306312 0.040259627123532 0.013947939896212 0.061586380745893
4 0.043948812957522 -0.065885340198795 0.023956384402860 -0.096908545187768 0.067070164753712
5 -0.148846751703239 -0.022474898546852 -0.157201859385230 0.009980057139430 -0.108793715975850
6 0.086210159516646 -0.129334700615831 0.071854852153282 -0.042069076070667 0.243390278640652
7 -0.285747272200866 -0.038211354699836 -0.293488861553342 0.058159369982309 -0.282223163886705
8 -0.046674730279404 0.224385983384366 -0.103046629697729 -0.131204792023676 -0.423251105184834
9 0.438568305674949 -0.007654453281942 0.548718090658819 -0.036625899343818 0.681184403581892
10 -0.085355763001274 0.262268761672978 -0.149309177242072 -0.256237850885887 -0.370757977084281
11 0.808856423675051 -0.049704792494099 0.771370252010415 -0.035082617533897 0.965360109054562
12 0.046412166254285 -0.479952735725600 0.226363803430376 0.368613490328098 0.285700646388966
13 1.869850487041811 -0.066846672110864 1.435883672052687 -0.034161244734618 1.499112098528620
14 0.111768914996713 -1.224858039530104 0.276869939609623 0.537161524567397 0.214570519362358
15 3.336136483922748 -0.183870781994857 2.406103510670985 -0.093633221662625 1.980886608303970
16 -0.186417283143894 2.880948511533301 -0.520758838361711 -1.456232174322044 -0.206622796256656
17 2.402237786701186 -0.519652255049885 4.735546976147777 0.009729986106406 3.373453394286683
18 -0.092136555936853 -1.455759023291227 0.009524627010023 3.132788016738951 -0.293064117809436
19 1.982428027372606 -0.205831612526236 3.374559695807756 -0.291651449401420 5.332390487812794
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000189087553
Norm of residual vector 0 after precondition 0.0000189087553
1 0.2868885518 4.83e-08 1.89e-05 N
Norm of residual vector af preconditioning 0.0000041726610
Norm of residual vector 1 before precondition 0.0003123199954
Norm of residual vector 1 after precondition 0.0003123199954
2 0.4902535461 -6.10e-07 3.12e-04 N
Norm of residual vector af preconditioning 0.0000802904359
Iter=11 L=22 resetting norm
SigmaSS, D(norm sigma)= 0.6860299003
FSD , D(norm sigma)= -0.0001300294
WamefSD, D(norm sigma)= -0.0070843456
WmnieSD, D(norm sigma)= 0.0691612563
WmaijDS, D(norm sigma)= 0.0040350941
WabejDS, D(norm sigma)= 0.0006365691
WnmjeDS, D(norm sigma)= -0.0000053904
WbmfeDS, D(norm sigma)= -0.0000357686
Fbe_FDD , D(norm sigma)= 1.3547204280
Fmj_DD, D(norm sigma)= 5.1091749704
WmnijDD, D(norm sigma)= 1.0257265944
WabefDD, D(norm sigma)= 0.2592988108
WmbejDD, D(norm sigma)= -1.1396766137
WmnefDD XAF, D(norm sigma)= 0.0004928320
WmnefDD XLI, D(norm sigma)= 0.0000741885
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.4698015696
FSD , D(norm sigma)= -0.0001487364
WamefSD, D(norm sigma)= 0.0156368084
WmnieSD, D(norm sigma)= 0.1363661668
WmaijDS, D(norm sigma)= 0.0076352137
WabejDS, D(norm sigma)= -0.0009706443
WnmjeDS, D(norm sigma)= -0.0000334272
WbmfeDS, D(norm sigma)= -0.0000019101
Fbe_FDD , D(norm sigma)= 0.6843342904
Fmj_DD, D(norm sigma)= 7.3924818410
WmnijDD, D(norm sigma)= 1.4261630693
WabefDD, D(norm sigma)= 0.2114809608
WmbejDD, D(norm sigma)= -0.9909587755
WmnefDD XAF, D(norm sigma)= 0.0002993779
WmnefDD XLI, D(norm sigma)= 0.0001124679
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
14 0.006011145207357 0.005314116324083 -0.027874934443418 -0.033627963802435 -0.008725419233226
15 0.008006773224726 -0.008681323463380 -0.037232021060416 0.067048719259166 0.043871637841352
16 -0.001544100681378 0.005661277941155 0.017284524561077 -0.019033042126455 -0.065532168262120
17 -0.010909042256352 -0.000550615671347 0.045325709645177 0.040193733169234 0.024006611820574
18 -0.011781402149352 -0.003793899922675 0.071089195292269 0.013331345749857 -0.095644596872505
19 -0.001325480893253 -0.010218382758668 0.000420719039311 0.063899126146515 0.067779505655305
20 -0.011372350750314 -0.000509922558989 0.060753731500469 -0.003342679875599 -0.036120228131750
21 0.003640016594256 0.012213665417839 -0.021366630145132 -0.066918654266677 -0.001722362003356
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
14 0.048080905644175 -0.066990788503230 0.063288429189305 0.087186810307563 -0.117361485979349
15 -0.149209312034637 0.086554148826542 -0.284123319617276 -0.047822640565432 0.435901755033740
16 -0.024090883052716 -0.128904781768690 -0.038368606931908 0.222321924208156 -0.007332107794445
17 -0.160353301573443 0.072378399061143 -0.293381897737810 -0.103889812423764 0.548579669148164
18 0.010418884968237 -0.042698532691517 0.057885120009667 -0.131924145296647 -0.035965660451656
19 -0.109730359481461 0.242585561826403 -0.282419836544809 -0.422770515698466 0.681276294764055
20 0.021978850732567 0.068584469563283 0.054211972547806 -0.243210625188884 -0.112019175176251
21 0.102524734806461 -0.099770503383633 0.259807332370820 0.196301481111213 -0.602830234906971
10 11 12 13 14
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311 0.006974685964762
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779 0.006565196251721
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012 -0.030261619122441
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534 -0.035051502678497
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959 -0.007545305365376
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050 0.047969650708335
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606 -0.067047227156710
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723 0.063908326496366
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621 0.088846685356880
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080 -0.118651773522963
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367 -0.130810811255700
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067 -0.185344118982834
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526 0.997324906685669
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761 -0.112818854000905
14 -0.131440513877512 -0.184688718897415 0.998901777336376 -0.112357751729446 2.375599280524455
15 -0.085393418460061 0.809291456871349 0.047189827681482 1.869237254172263 0.113474195493379
16 0.262522317236636 -0.048041277169899 -0.478843883299547 -0.067742278855846 -1.224205920523196
17 -0.150258928872549 0.774313926795783 0.227170011480585 1.433508387440792 0.278902247272803
18 -0.255607756959860 -0.035076283711738 0.367922955954203 -0.034804396514389 0.537726887711208
19 -0.370594519415897 0.964710009117623 0.284749595607703 1.498587717638270 0.214295435384590
20 -0.355353140305452 -0.237793404051133 0.483868220200721 -0.266003358382572 0.538057696231907
21 0.253295612573111 -1.048811758445931 -0.185056305227721 -1.644331783487660 0.003591243548659
15 16 17 18 19
0 0.008464874614446 -0.002223232427793 -0.011742040783844 -0.014869215116790 -0.002802444763003
1 -0.009181852522955 0.005717104307610 0.000869394198135 -0.003205556456640 -0.009277368257800
2 -0.037914652029439 0.017842663913100 0.043525411241131 0.071332703728106 0.002390290329067
3 0.069582374453290 -0.019445414306312 0.040259627123532 0.013947939896212 0.061586380745893
4 0.043948812957522 -0.065885340198795 0.023956384402860 -0.096908545187768 0.067070164753712
5 -0.148846751703239 -0.022474898546852 -0.157201859385230 0.009980057139430 -0.108793715975850
6 0.086210159516646 -0.129334700615831 0.071854852153282 -0.042069076070667 0.243390278640652
7 -0.285747272200866 -0.038211354699836 -0.293488861553342 0.058159369982309 -0.282223163886705
8 -0.046674730279404 0.224385983384366 -0.103046629697729 -0.131204792023676 -0.423251105184834
9 0.438568305674949 -0.007654453281942 0.548718090658819 -0.036625899343818 0.681184403581892
10 -0.085355763001274 0.262268761672978 -0.149309177242072 -0.256237850885887 -0.370757977084281
11 0.808856423675051 -0.049704792494099 0.771370252010415 -0.035082617533897 0.965360109054562
12 0.046412166254285 -0.479952735725600 0.226363803430376 0.368613490328098 0.285700646388966
13 1.869850487041811 -0.066846672110864 1.435883672052687 -0.034161244734618 1.499112098528620
14 0.111768914996713 -1.224858039530104 0.276869939609623 0.537161524567397 0.214570519362358
15 3.336136483922748 -0.183870781994857 2.406103510670985 -0.093633221662625 1.980886608303970
16 -0.186417283143894 2.880948511533301 -0.520758838361711 -1.456232174322044 -0.206622796256656
17 2.402237786701186 -0.519652255049885 4.735546976147777 0.009729986106406 3.373453394286683
18 -0.092136555936853 -1.455759023291227 0.009524627010023 3.132788016738951 -0.293064117809436
19 1.982428027372606 -0.205831612526236 3.374559695807756 -0.291651449401420 5.332390487812794
20 -0.194118351561629 -0.827504247679542 -0.270385424847963 1.896756161496378 -0.351787413008526
21 -1.764235909396903 0.188456901953692 -2.697669713841957 0.253138049435740 -4.194566915415175
20 21
0 -0.011810076647922 0.002191647587282
1 -0.001757462510412 0.013806215107652
2 0.060249799290246 -0.022494260485433
3 -0.002756916445347 -0.066429233217606
4 -0.036506764670052 -0.001287131743690
5 0.021888134711711 0.104515744165330
6 0.068388867523620 -0.100183740949961
7 0.053778620654526 0.259996559859759
8 -0.241698204115681 0.194678435089808
9 -0.112823442579804 -0.602988644537772
10 -0.353306450580954 0.252855484487446
11 -0.240208576514105 -1.050073051611381
12 0.483562206184952 -0.185453384510860
13 -0.265959544092325 -1.643340758076770
14 0.537539906130006 0.003648623092362
15 -0.193348161470501 -1.761192535600894
16 -0.827479030895447 0.188600975618461
17 -0.269627142487928 -2.697839129248538
18 1.896981919889549 0.251282221377993
19 -0.350384737142206 -4.194573165486471
20 3.990733606044116 0.408451186915550
21 0.408892567959137 5.749455520471589
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000057781815
Norm of residual vector 0 after precondition 0.0000057781815
1 0.2868885659 1.40e-08 5.78e-06 N
Norm of residual vector af preconditioning 0.0000012202613
Norm of residual vector 1 before precondition 0.0001055582834
Norm of residual vector 1 after precondition 0.0001055582834
2 0.4902535096 -3.66e-08 1.06e-04 N
Norm of residual vector af preconditioning 0.0000298028823
Iter=12 L=24 resetting norm
SigmaSS, D(norm sigma)= 0.7746809777
FSD , D(norm sigma)= -0.0001195518
WamefSD, D(norm sigma)= 0.0108857960
WmnieSD, D(norm sigma)= 0.0681502707
WmaijDS, D(norm sigma)= 0.0049871616
WabejDS, D(norm sigma)= 0.0028319697
WnmjeDS, D(norm sigma)= -0.0000384467
WbmfeDS, D(norm sigma)= -0.0000215972
Fbe_FDD , D(norm sigma)= 1.3243909327
Fmj_DD, D(norm sigma)= 7.5554054926
WmnijDD, D(norm sigma)= 1.4188165486
WabefDD, D(norm sigma)= 0.2363137161
WmbejDD, D(norm sigma)= -1.1935394808
WmnefDD XAF, D(norm sigma)= 0.0002450977
WmnefDD XLI, D(norm sigma)= 0.0000256137
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 1.2446413652
FSD , D(norm sigma)= -0.0000706603
WamefSD, D(norm sigma)= 0.0148689494
WmnieSD, D(norm sigma)= 0.0925317988
WmaijDS, D(norm sigma)= 0.0093121067
WabejDS, D(norm sigma)= 0.0005859688
WnmjeDS, D(norm sigma)= 0.0000253948
WbmfeDS, D(norm sigma)= 0.0000666648
Fbe_FDD , D(norm sigma)= 0.6896470973
Fmj_DD, D(norm sigma)= 7.0671773124
WmnijDD, D(norm sigma)= 1.3557050988
WabefDD, D(norm sigma)= 0.1843785996
WmbejDD, D(norm sigma)= -0.8814986813
WmnefDD XAF, D(norm sigma)= 0.0002491339
WmnefDD XLI, D(norm sigma)= 0.0000067907
resetting norm
The G Matrix
0 1 2 3 4
0 0.356387246705093 -0.000078105651007 -0.308076406803577 0.007109393723715 0.039230432412580
1 0.000000000000000 0.579236833940439 0.003539681897128 -0.365967352574830 -0.010432454127176
2 -0.281273632289969 0.004348046536158 1.616626774460787 -0.033004561530726 -0.471348929304244
3 0.008625262880572 -0.337325484279887 -0.032622324852006 2.036620771147456 0.088449622223951
4 0.036748871099546 -0.011236665056176 -0.474263618806262 0.089817249148635 1.640812273410713
5 -0.001452293312041 0.070925076523911 0.006177287218967 -0.697971665634145 -0.076678453320037
6 0.004969034592298 0.000062935603424 -0.099363864960505 0.001502265342822 0.765464597550856
7 0.001596225485688 -0.003071899340680 0.003484645039847 -0.077329256482088 -0.081644492614741
8 -0.000568855695829 -0.000001915240228 0.027217765216443 0.012865939637148 -0.244203765863456
9 0.003079410589075 -0.004154421490360 -0.016827873173015 0.029659557520217 0.038630789696815
10 -0.011806746848132 -0.004516628556800 0.076213246644839 0.020624824256259 -0.134286789953854
11 0.008141269503765 0.007227752919626 -0.041098272547568 -0.042496013900653 0.029623950748716
12 0.030216548246657 0.004356467590605 -0.152959147357487 -0.022303427611389 0.096304881252628
13 0.012778909957444 -0.001494151069497 -0.073105124936332 0.005895869976465 0.067013073030335
14 0.006011145207357 0.005314116324083 -0.027874934443418 -0.033627963802435 -0.008725419233226
15 0.008006773224726 -0.008681323463380 -0.037232021060416 0.067048719259166 0.043871637841352
16 -0.001544100681378 0.005661277941155 0.017284524561077 -0.019033042126455 -0.065532168262120
17 -0.010909042256352 -0.000550615671347 0.045325709645177 0.040193733169234 0.024006611820574
18 -0.011781402149352 -0.003793899922675 0.071089195292269 0.013331345749857 -0.095644596872505
19 -0.001325480893253 -0.010218382758668 0.000420719039311 0.063899126146515 0.067779505655305
20 -0.011372350750314 -0.000509922558989 0.060753731500469 -0.003342679875599 -0.036120228131750
21 0.003640016594256 0.012213665417839 -0.021366630145132 -0.066918654266677 -0.001722362003356
22 0.000566143275047 0.005552225750088 -0.008401513646618 -0.030366050744504 0.061499809001453
23 0.003187913869226 -0.013135033572764 -0.019139843398340 0.085468859443272 0.054280055466956
5 6 7 8 9
0 -0.001718000999366 -0.000361116582139 0.002014929084951 0.000871206239048 0.002436786817486
1 0.076489543364813 0.000460745787249 -0.001165538307577 0.000547393707777 -0.006408642747112
2 0.006577447772901 -0.093032253934147 0.001512683510309 0.032042069671878 -0.018705373254679
3 -0.690086656331306 0.000609333243932 -0.072904175356546 0.012511930740957 0.028807785093933
4 -0.076481279759517 0.765029609011277 -0.082583028342069 -0.246570858891959 0.039407432756303
5 1.802477260939852 0.073004865486643 0.672761255318733 -0.089790260385026 -0.199895161486875
6 0.072555882763578 1.864542581117796 -0.135757611025317 -0.982814418433015 0.103654962089950
7 0.670520827873694 -0.135405625032503 1.882272567055931 -0.162706611837159 -1.043146474690862
8 -0.090412482713197 -0.983943258739024 -0.162843890489692 2.112102913222539 0.088188861552382
9 -0.196073747576958 0.103144267545786 -1.041717422745370 0.087283808273146 2.441038230744689
10 -0.020685408561232 -0.250326581726697 -0.051252926758270 0.868396039920422 0.117781472566910
11 0.032162601225518 0.010364101224790 -0.197841919080386 0.112085259237283 0.986427190505928
12 0.025050661524221 0.057904162007835 0.026981717691113 -0.197659256970136 -0.118833134666069
13 -0.003904216315286 0.036814017906150 -0.080103527302309 -0.058641076143769 0.483777104214994
14 0.048080905644175 -0.066990788503230 0.063288429189305 0.087186810307563 -0.117361485979349
15 -0.149209312034637 0.086554148826542 -0.284123319617276 -0.047822640565432 0.435901755033740
16 -0.024090883052716 -0.128904781768690 -0.038368606931908 0.222321924208156 -0.007332107794445
17 -0.160353301573443 0.072378399061143 -0.293381897737810 -0.103889812423764 0.548579669148164
18 0.010418884968237 -0.042698532691517 0.057885120009667 -0.131924145296647 -0.035965660451656
19 -0.109730359481461 0.242585561826403 -0.282419836544809 -0.422770515698466 0.681276294764055
20 0.021978850732567 0.068584469563283 0.054211972547806 -0.243210625188884 -0.112019175176251
21 0.102524734806461 -0.099770503383633 0.259807332370820 0.196301481111213 -0.602830234906971
22 0.060707992728750 0.241425494791938 0.122317336894287 -0.539715677790058 -0.138870462408618
23 -0.147178034135979 0.140801363538250 -0.302882420248445 -0.188744891167202 0.604125730224719
10 11 12 13 14
0 -0.009315900528487 0.009497458029997 0.031043591941225 0.011967342864311 0.006974685964762
1 -0.005721420984722 0.009988286334825 0.005208409180799 0.000270385370779 0.006565196251721
2 0.080308473521764 -0.041906230648987 -0.152555754036562 -0.073171132831012 -0.030261619122441
3 0.020888205946161 -0.042987177459826 -0.022181691584705 0.006759522466534 -0.035051502678497
4 -0.136174369381200 0.029749526954450 0.096896328360200 0.066626171428959 -0.007545305365376
5 -0.021160721797635 0.032039393826440 0.025050573846094 -0.002278686585050 0.047969650708335
6 -0.249315482399145 0.008979307445598 0.057790418443452 0.036458247528606 -0.067047227156710
7 -0.051536999612546 -0.195629360435012 0.027479356895807 -0.078816776503723 0.063908326496366
8 0.868039429307556 0.111571351087914 -0.199245957176377 -0.061536053024621 0.088846685356880
9 0.117860942290827 0.984006385107829 -0.118122532134172 0.484263221671080 -0.118651773522963
10 1.878398167489947 0.168848278002882 -0.956688562919902 0.001454782958367 -0.130810811255700
11 0.167863587708507 2.513984891611321 -0.244009597397570 1.520960619165067 -0.185344118982834
12 -0.955989825804866 -0.244653118534172 2.361523197569495 -0.020658739397526 0.997324906685669
13 0.003927154799986 1.519376567118047 -0.020802368716708 3.388594690739761 -0.112818854000905
14 -0.131440513877512 -0.184688718897415 0.998901777336376 -0.112357751729446 2.375599280524455
15 -0.085393418460061 0.809291456871349 0.047189827681482 1.869237254172263 0.113474195493379
16 0.262522317236636 -0.048041277169899 -0.478843883299547 -0.067742278855846 -1.224205920523196
17 -0.150258928872549 0.774313926795783 0.227170011480585 1.433508387440792 0.278902247272803
18 -0.255607756959860 -0.035076283711738 0.367922955954203 -0.034804396514389 0.537726887711208
19 -0.370594519415897 0.964710009117623 0.284749595607703 1.498587717638270 0.214295435384590
20 -0.355353140305452 -0.237793404051133 0.483868220200721 -0.266003358382572 0.538057696231907
21 0.253295612573111 -1.048811758445931 -0.185056305227721 -1.644331783487660 0.003591243548659
22 -0.615356970059509 -0.264779885922556 0.692148464192554 -0.377137856219424 0.624097034218657
23 -0.127858295603925 0.813700123508163 0.063873765440880 1.347958104273742 0.040453284618855
15 16 17 18 19
0 0.008464874614446 -0.002223232427793 -0.011742040783844 -0.014869215116790 -0.002802444763003
1 -0.009181852522955 0.005717104307610 0.000869394198135 -0.003205556456640 -0.009277368257800
2 -0.037914652029439 0.017842663913100 0.043525411241131 0.071332703728106 0.002390290329067
3 0.069582374453290 -0.019445414306312 0.040259627123532 0.013947939896212 0.061586380745893
4 0.043948812957522 -0.065885340198795 0.023956384402860 -0.096908545187768 0.067070164753712
5 -0.148846751703239 -0.022474898546852 -0.157201859385230 0.009980057139430 -0.108793715975850
6 0.086210159516646 -0.129334700615831 0.071854852153282 -0.042069076070667 0.243390278640652
7 -0.285747272200866 -0.038211354699836 -0.293488861553342 0.058159369982309 -0.282223163886705
8 -0.046674730279404 0.224385983384366 -0.103046629697729 -0.131204792023676 -0.423251105184834
9 0.438568305674949 -0.007654453281942 0.548718090658819 -0.036625899343818 0.681184403581892
10 -0.085355763001274 0.262268761672978 -0.149309177242072 -0.256237850885887 -0.370757977084281
11 0.808856423675051 -0.049704792494099 0.771370252010415 -0.035082617533897 0.965360109054562
12 0.046412166254285 -0.479952735725600 0.226363803430376 0.368613490328098 0.285700646388966
13 1.869850487041811 -0.066846672110864 1.435883672052687 -0.034161244734618 1.499112098528620
14 0.111768914996713 -1.224858039530104 0.276869939609623 0.537161524567397 0.214570519362358
15 3.336136483922748 -0.183870781994857 2.406103510670985 -0.093633221662625 1.980886608303970
16 -0.186417283143894 2.880948511533301 -0.520758838361711 -1.456232174322044 -0.206622796256656
17 2.402237786701186 -0.519652255049885 4.735546976147777 0.009729986106406 3.373453394286683
18 -0.092136555936853 -1.455759023291227 0.009524627010023 3.132788016738951 -0.293064117809436
19 1.982428027372606 -0.205831612526236 3.374559695807756 -0.291651449401420 5.332390487812794
20 -0.194118351561629 -0.827504247679542 -0.270385424847963 1.896756161496378 -0.351787413008526
21 -1.764235909396903 0.188456901953692 -2.697669713841957 0.253138049435740 -4.194566915415175
22 -0.358863874289745 -0.840928190680434 -0.369397892397364 1.385876353086057 -0.445639414166538
23 1.609367694236586 -0.045730074219386 2.024443095062155 -0.278343168581910 2.813192895212849
20 21 22 23
0 -0.011810076647922 0.002191647587282 0.002161126556930 0.004012394267447
1 -0.001757462510412 0.013806215107652 0.005984720011845 -0.014132421176093
2 0.060249799290246 -0.022494260485433 -0.007442053455240 -0.018504408002135
3 -0.002756916445347 -0.066429233217606 -0.030531844427523 0.085026719189388
4 -0.036506764670052 -0.001287131743690 0.061159928132575 0.053929750691673
5 0.021888134711711 0.104515744165330 0.061607910569209 -0.148244037734580
6 0.068388867523620 -0.100183740949961 0.242396643784970 0.141483248351851
7 0.053778620654526 0.259996559859759 0.122706971459793 -0.303623131128215
8 -0.241698204115681 0.194678435089808 -0.540714378124413 -0.190026319164791
9 -0.112823442579804 -0.602988644537772 -0.139170426559710 0.604297138146810
10 -0.353306450580954 0.252855484487446 -0.616395920408330 -0.126756501920408
11 -0.240208576514105 -1.050073051611381 -0.264147079964006 0.814743540533128
12 0.483562206184952 -0.185453384510860 0.692807755612723 0.064500465957844
13 -0.265959544092325 -1.643340758076770 -0.376900220798109 1.348987462577018
14 0.537539906130006 0.003648623092362 0.624293996107677 0.041255815559884
15 -0.193348161470501 -1.761192535600894 -0.359705855225610 1.610196485203023
16 -0.827479030895447 0.188600975618461 -0.841766210923272 -0.043669626160187
17 -0.269627142487928 -2.697839129248538 -0.370847786644149 2.026535479998367
18 1.896981919889549 0.251282221377993 1.385163554518887 -0.279355299823889
19 -0.350384737142206 -4.194573165486471 -0.445492877974283 2.811873469107805
20 3.990733606044116 0.408451186915550 3.147619194483002 -0.330378133030782
21 0.408892567959137 5.749455520471589 0.420722759739173 -4.014628303097678
22 3.148626929682452 0.420933042990261 5.866105831358489 -0.048946197254283
23 -0.330764098491552 -4.017193631153705 -0.048665009653226 5.262346107854007
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000013935761
Norm of residual vector 0 after precondition 0.0000013935761
1 0.2868885635 -2.34e-09 1.39e-06 N
Norm of residual vector af preconditioning 0.0000003124394
Norm of residual vector 1 before precondition 0.0000334311386
Norm of residual vector 1 after precondition 0.0000334311386
2 0.4902535122 2.64e-09 3.34e-05 N
Norm of residual vector af preconditioning 0.0000107169264
alpha
1 2 3 4 5 6 7 8 9 10
1 0.9708208 -0.0009461 0.0689010 0.0090682 0.0396757 0.0878199 -0.0087768 0.0530983 -0.0616977 -0.1209156
2 -0.0056233 0.9555631 0.1151252 0.1174080 -0.0824516 -0.0100176 0.0543675 -0.0233532 -0.1074869 0.0699434
3 0.2275523 0.0075820 -0.0969054 0.0079760 -0.0639905 -0.1892787 0.0318136 -0.1527989 0.1978678 0.4026357
4 -0.0033541 0.2561709 -0.0134148 -0.1413226 0.1032791 0.0207275 -0.0918131 0.0485273 0.2248147 -0.1591252
5 0.0681497 0.0177657 -0.3250516 -0.0807898 -0.2477513 -0.4037306 0.0416633 -0.2250821 0.1852005 0.3475145
6 0.0046341 0.1137796 -0.1417586 -0.3297102 0.2457223 -0.0118831 -0.1790765 0.0698899 0.4215603 -0.2293770
7 -0.0289449 -0.0405589 0.5211865 0.0847125 0.2116427 0.3143363 0.0372930 0.1016726 0.0690409 0.1612759
8 -0.0040754 -0.0622073 0.2276176 0.4589706 -0.3899709 -0.0845353 0.1269523 -0.0785539 -0.0464431 -0.0335718
9 -0.0117407 -0.0330907 0.4905591 0.0070751 0.1938489 -0.1069591 0.0223663 -0.1621397 0.3000259 0.2704759
10 -0.0007313 -0.0255638 0.1199974 0.2849345 -0.3627879 -0.1263078 -0.0902177 0.0823292 0.2036213 -0.2512077
11 0.0047930 0.0212232 -0.4169076 0.3283385 0.0520419 0.2965206 0.0277912 0.3345821 -0.0337013 0.0174120
12 0.0001095 0.0099716 -0.0882709 -0.1517482 0.1712257 0.1982175 0.3022730 -0.3220422 -0.3324024 0.2052568
13 0.0015079 0.0101372 -0.2409229 0.3595028 0.1746803 0.2474058 -0.0036688 0.0895143 0.1166041 0.2498918
14 -0.0000462 -0.0039995 0.0774196 0.0151376 -0.0312235 -0.1969527 -0.3892248 0.3514160 0.0269424 0.0771995
15 -0.0004463 -0.0042756 0.1223941 -0.3668244 -0.2807167 -0.0596189 0.1334638 0.1424454 -0.2568568 -0.1778081
16 0.0000188 0.0017571 -0.0636422 0.0657028 -0.0175175 0.1290116 0.4107352 -0.2888452 0.2676353 -0.3453428
17 -0.0001102 -0.0014296 0.0485127 -0.2527084 -0.2186964 0.0355050 0.2579085 0.3065676 -0.1249200 0.0659805
18 -0.0000042 -0.0005509 0.0259819 -0.1174842 -0.1174182 0.1170673 -0.2862653 0.0852706 -0.1900910 0.3104756
19 -0.0000275 -0.0004189 0.0183194 -0.1214919 -0.0825589 -0.0104319 0.3811764 0.3798420 0.1176011 0.1573958
20 -0.0000008 0.0001865 -0.0004642 0.1634617 0.3245804 -0.3885017 0.2456290 0.1329327 -0.0267189 -0.1695970
21 0.0000069 0.0001273 -0.0081023 0.0643522 0.0428784 -0.0006259 -0.3302124 -0.3219806 -0.2696161 -0.1735910
22 -0.0000002 0.0000840 0.0068315 0.1535136 0.3661486 -0.4411242 0.1216109 0.1537883 -0.2574649 -0.0309621
23 -0.0000015 -0.0000323 0.0035692 -0.0234496 -0.0157106 0.0095468 0.1383127 0.1424602 0.1741539 0.0895799
24 0.0000000 0.0000270 0.0044732 0.0721805 0.1910143 -0.2265863 0.0188121 0.0640557 -0.2130394 0.0339513
11 12 13 14 15 16 17 18 19 20
1 0.0465182 -0.1001852 0.1126178 -0.0605694 0.0329718 0.0172365 -0.0276842 0.0159060 -0.0111267 0.0206539
2 0.1325455 0.0333709 0.0562925 0.0795964 0.0512277 -0.1220032 -0.0022016 0.0342173 0.0474495 0.0041118
3 -0.1763625 0.3965380 -0.5386873 0.2949947 -0.1912070 -0.0913140 0.1062862 -0.0851335 0.0719746 -0.1426866
4 -0.3863627 -0.1113200 -0.2185778 -0.3245147 -0.2256213 0.5793931 -0.0036423 -0.1909161 -0.2629249 -0.0151045
5 -0.0568020 0.0894408 0.3462404 -0.2512633 0.3175811 0.1279577 0.0653398 0.0893808 -0.1602307 0.3151454
6 -0.3778308 -0.0872253 0.0427743 0.0050068 0.1404208 -0.3705042 0.0598165 0.2556013 0.3845296 0.0309609
7 -0.1597761 0.3091546 -0.0434864 -0.0085103 0.2511252 0.0284019 0.2607128 0.1168288 -0.1561175 0.4667780
8 -0.3025516 -0.1740542 -0.0979680 -0.2525636 -0.0389090 0.1281891 0.0699627 0.1669274 0.5064798 -0.0221098
9 -0.0168205 0.0301552 0.2866411 -0.1777203 0.1234462 -0.0258667 -0.2610100 -0.1214297 0.0305117 -0.4934212
10 -0.2535596 -0.1259858 -0.0414787 0.0849921 -0.0053471 -0.4078379 -0.0450625 0.0202702 -0.4815209 0.0603157
11 -0.0944950 0.2848014 -0.0187964 -0.2386336 0.3995460 0.0204688 0.1395489 -0.0666232 0.0514334 -0.3117284
12 -0.1849836 -0.1672278 -0.1516278 -0.3011820 -0.1437555 -0.1802338 -0.0518021 0.3105024 -0.0088043 0.0965959
13 -0.1886988 0.0172893 0.2029526 0.0737026 -0.2756537 -0.0710084 -0.5325684 0.0863936 -0.1183518 0.1083314
14 0.2151438 0.1941275 -0.0192046 -0.0535064 -0.1683620 0.2251013 -0.1847635 0.3159001 0.2672891 0.2123783
15 -0.1360000 0.3515013 -0.1654080 -0.1445610 0.2362298 -0.0518731 -0.3535634 0.1361949 -0.1369380 -0.1641858
16 0.0227142 0.1253209 0.0639287 0.3375442 0.1693116 0.2569593 -0.1362916 -0.1455410 0.1972677 0.1702779
17 -0.2860399 0.1731277 0.2949063 0.0821756 -0.2221337 -0.0448266 -0.1942296 -0.2883984 0.1945918 0.1512376
18 -0.1986379 -0.3245527 -0.0095579 0.0904815 0.1989342 -0.0769887 0.0945825 -0.4796054 0.1171808 0.0655431
19 -0.0363933 -0.1338186 0.2563639 0.1645798 -0.2246233 0.0960091 0.4300766 0.2003946 -0.0733810 -0.2132864
20 0.0874888 0.1790092 0.0147684 -0.3456427 -0.1972772 -0.2563848 0.1487927 -0.2430812 0.0034222 0.0426616
21 -0.2498970 0.3467619 0.3264872 0.0332115 -0.1445969 0.0128007 0.1479550 -0.1133066 0.0735633 -0.0820359
22 -0.2081182 -0.1150069 -0.0658649 0.1681689 0.1602836 0.0341479 -0.0853974 -0.1445820 0.0313555 0.2087481
23 0.1976333 -0.1840982 -0.2622872 -0.1485661 0.2027425 -0.0592859 -0.2456365 -0.1987754 0.1310244 0.1073114
24 -0.2305091 -0.1483640 -0.0050903 0.3579112 0.2707441 0.2404781 -0.1012189 0.3022499 -0.0984590 -0.2400466
21 22 23 24
1 -0.0035946 0.0007248 0.0001804 0.0002833
2 -0.0047829 0.0000549 -0.0002015 -0.0013859
3 0.0226953 -0.0082383 0.0007220 -0.0021690
4 0.0292024 -0.0088742 0.0018014 0.0096763
5 -0.0269977 0.0466787 -0.0127643 0.0085809
6 -0.0754180 0.0468523 -0.0083383 -0.0206271
7 -0.0352276 0.1140977 -0.0476267 0.0199185
8 -0.1712166 0.1118503 -0.0154196 -0.0487473
9 0.1092393 -0.1891947 0.1051119 -0.0243752
10 0.2960803 -0.2095765 0.0154701 0.1021676
11 0.2000680 -0.1424085 0.1358525 -0.0217822
12 0.3128247 -0.3053069 0.0275050 0.1560035
13 -0.3473959 0.0450074 -0.1774576 0.0145036
14 0.2227569 -0.3804257 0.0076629 0.2468471
15 -0.3835947 -0.1268244 -0.1876964 0.0063765
16 0.0116917 -0.3392027 -0.0226443 0.2876126
17 0.3509192 0.2645034 0.2711708 -0.0207423
18 -0.2302087 -0.2606284 -0.0678282 0.3923985
19 -0.0815424 -0.2597797 -0.3547295 -0.0452514
20 -0.1633818 0.1049824 -0.0596725 0.4735946
21 0.1983129 -0.0418062 -0.5185609 -0.0816342
22 -0.0237017 -0.3198850 0.0514365 -0.4980054
23 0.3514677 0.1863120 -0.6457890 -0.0927893
24 0.1834437 0.3790330 -0.0578105 0.4157502
alpha_old
1 2 3 4 5 6 7 8 9 10
1 -0.9708208 -0.0009459 0.0689361 0.0022239 0.0684033 -0.0816636 -0.0417935 0.0354178 -0.0401466 0.1365464
2 0.0056233 0.9555630 0.1150983 0.1330967 -0.0590371 -0.0395603 0.0551442 -0.0172477 -0.1476559 -0.0460554
3 -0.2275523 0.0075822 -0.0971121 0.0178472 -0.1181857 0.2061181 0.1191817 -0.1115458 0.1421113 -0.4607351
4 0.0033541 0.2561714 -0.0135696 -0.1605459 0.0798249 0.0589587 -0.1000195 0.0337335 0.3522699 0.1043032
5 -0.0681497 0.0177671 -0.3247915 -0.0332778 -0.3824971 0.3300771 0.1833950 -0.1374953 0.0864453 -0.3712765
6 -0.0046341 0.1137794 -0.1422771 -0.3781005 0.1660834 0.1809870 -0.1730774 0.0632553 0.5351837 0.1417969
7 0.0289449 -0.0405597 0.5210851 0.0452728 0.3328140 -0.1998938 -0.0463220 0.0620021 0.1341588 -0.2392496
8 0.0040755 -0.0622083 0.2283656 0.5345463 -0.3036180 -0.0698607 0.1386634 -0.0574297 0.1066916 0.0368603
9 0.0117405 -0.0330903 0.4891697 -0.0373662 0.1594851 0.2748336 0.1166876 -0.1006633 0.1617043 -0.2957232
10 0.0007313 -0.0255612 0.1210808 0.3596827 -0.3115073 0.0695762 -0.1131343 0.0616734 0.3277986 0.2093967
11 -0.0047931 0.0212270 -0.4174450 0.3212012 0.2161083 -0.2805499 -0.1743637 0.2381717 0.0296307 -0.0903714
12 -0.0001094 0.0099690 -0.0883120 -0.1850079 0.1818100 -0.2605774 0.3862943 -0.2555101 -0.2202201 -0.1311821
13 -0.0015078 0.0101321 -0.2413932 0.3180688 0.3216765 -0.1169286 -0.0722116 0.0177600 0.1663080 -0.3045571
14 0.0000461 -0.0040000 0.0770973 0.0153061 -0.0955420 0.2353571 -0.4709702 0.2135555 -0.1596967 -0.1044263
15 0.0004463 -0.0042703 0.1238051 -0.2959933 -0.3684112 -0.2278999 0.0495663 0.1984334 -0.0933214 0.1154657
16 -0.0000189 0.0017648 -0.0631109 0.0804968 0.0760088 -0.0701056 0.4824260 -0.0283000 0.3344051 0.2950977
17 0.0001101 -0.0014203 0.0488993 -0.1917092 -0.2571400 -0.3267883 0.0607865 0.3303621 0.0830121 -0.1911611
18 0.0000043 -0.0005503 0.0269141 -0.0888253 -0.1071242 -0.1809272 -0.3358313 -0.2345087 -0.0750460 -0.2119443
19 0.0000272 -0.0004086 0.0170128 -0.0911293 -0.1174393 -0.2074880 0.1377030 0.4382509 0.1804552 -0.2776210
20 0.0000007 0.0001789 -0.0037962 0.0735706 0.1783001 0.3876812 0.2523592 0.4908266 -0.2296132 0.0519196
21 -0.0000056 0.0000952 -0.0043313 0.0310760 0.0427671 0.0851425 -0.0788990 -0.2165657 -0.1069699 0.1324419
22 0.0000001 0.0000586 0.0014225 0.0366737 0.1153792 0.2573635 0.1114944 0.2979334 -0.2075965 0.0018945
11 12 13 14 15 16 17 18 19 20
1 0.0088336 0.1152374 -0.1118872 -0.0175352 0.0195643 0.0120183 0.0165031 0.0131883 0.0220216 0.0038029
2 0.1201483 0.0000236 -0.0271086 0.1086465 -0.0792008 0.0595850 -0.0398699 0.0361770 -0.0055908 0.0040983
3 -0.0422160 -0.4915742 0.5565434 0.1017176 -0.0637399 -0.0456153 -0.0868529 -0.0658479 -0.1530124 -0.0294313
4 -0.4128174 0.0043136 0.1117392 -0.4852399 0.3755484 -0.3022007 0.2287288 -0.1931824 0.0351079 -0.0295054
5 0.0287824 0.0409416 -0.4970272 -0.1890965 -0.1051026 -0.0407166 0.1027161 0.0304897 0.3475463 0.0808840
6 -0.1951011 0.0288203 -0.0868476 0.1978717 -0.2703865 0.2574183 -0.3348774 0.2848655 -0.0435341 0.0882737
7 0.0006440 -0.3004643 -0.1046776 -0.1260074 -0.2777040 -0.0730046 0.0045738 0.0047828 0.5096162 0.1592088
8 -0.3767208 0.0864612 -0.0075698 -0.2141380 0.0411693 -0.0049258 -0.3729664 0.3595040 -0.1524626 0.1925337
9 0.0500563 0.0838645 -0.3594320 0.0384280 0.1214410 0.0893278 0.1240601 -0.0498839 -0.5002638 -0.2716187
10 -0.1579886 0.0476734 0.0712430 0.2822493 -0.1682002 0.2721442 0.2673728 -0.3420588 0.2343387 -0.3387537
11 -0.0603532 -0.3031209 -0.3074972 -0.2110082 -0.2659585 -0.0396396 -0.0274665 -0.0736988 -0.2877303 -0.2669986
12 -0.4263326 0.0969023 0.0568855 -0.0635855 0.0303690 0.3502769 -0.1055581 0.0506769 0.1920127 -0.4132651
13 -0.0419764 0.0993639 -0.0344715 0.3020369 0.4436065 0.2374687 0.2810417 0.1699163 0.0578975 0.2417209
14 0.1404742 -0.1096031 0.0363457 -0.1367315 0.3183869 0.0878556 -0.1877131 0.3827781 0.2035579 -0.3998375
15 -0.1371704 -0.4471694 -0.1537442 -0.0316801 0.0286504 0.2764160 0.3768511 0.2102647 -0.1959516 0.0785451
16 0.3100684 -0.1691766 -0.0339531 0.1150739 0.0772725 -0.3520134 0.0755645 0.3398404 0.0424364 -0.2277726
17 -0.1134433 -0.0277566 -0.1641675 0.3964798 0.3319795 -0.2009740 -0.2377292 -0.1380442 0.0830740 0.0656002
18 -0.2476520 0.2352718 0.0092124 0.2153854 -0.2944851 -0.4198308 0.1998553 0.1581464 -0.1662409 0.0073004
19 0.1865161 0.3925089 0.1488718 -0.1577569 -0.1141963 -0.0355332 -0.1557800 -0.1074707 -0.0464055 -0.2313953
20 -0.2303284 -0.0102465 -0.0389333 0.0363750 -0.0686334 0.0222605 -0.0508964 -0.1932243 -0.0679804 0.2622613
21 -0.1604794 -0.2628369 -0.2911115 0.2625918 0.1761794 -0.2321976 -0.3647363 -0.2873978 0.0509286 -0.1768365
22 -0.3088025 0.0661451 0.0641075 0.2298091 -0.1410978 -0.2942184 0.2436969 0.3276931 0.1243923 -0.2378498
21 22
1 -0.0005050 -0.0002597
2 0.0001093 0.0012745
3 -0.0003330 0.0024279
4 -0.0027496 -0.0095788
5 0.0107588 -0.0104141
6 0.0157672 0.0217351
7 0.0440798 -0.0244166
8 0.0345087 0.0534251
9 -0.1121404 0.0318876
10 -0.0535104 -0.1142760
11 -0.1705595 0.0318968
12 -0.0743786 -0.1776195
13 0.2591575 -0.0263931
14 -0.0443378 -0.2805353
15 0.3075011 -0.0170484
16 0.0092628 -0.3273929
17 -0.4383908 0.0400000
18 0.0779930 -0.4528726
19 0.5155579 0.0309985
20 0.0268206 -0.5295706
21 0.5636607 0.0636005
22 0.0126112 0.5198169
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 0.9708208 -0.0009461 -0.9708208 -0.0009459 0.0689010 0.0090682 0.0396757 0.0878199 -0.0087768 0.0530983
2 -0.0056233 0.9555631 0.0056233 0.9555630 0.1151252 0.1174080 -0.0824516 -0.0100176 0.0543675 -0.0233532
3 0.2275523 0.0075820 -0.2275523 0.0075822 -0.0969054 0.0079760 -0.0639905 -0.1892787 0.0318136 -0.1527989
4 -0.0033541 0.2561709 0.0033541 0.2561714 -0.0134148 -0.1413226 0.1032791 0.0207275 -0.0918131 0.0485273
5 0.0681497 0.0177657 -0.0681497 0.0177671 -0.3250516 -0.0807898 -0.2477513 -0.4037306 0.0416633 -0.2250821
6 0.0046341 0.1137796 -0.0046341 0.1137794 -0.1417586 -0.3297102 0.2457223 -0.0118831 -0.1790765 0.0698899
7 -0.0289449 -0.0405589 0.0289449 -0.0405597 0.5211865 0.0847125 0.2116427 0.3143363 0.0372930 0.1016726
8 -0.0040754 -0.0622073 0.0040755 -0.0622083 0.2276176 0.4589706 -0.3899709 -0.0845353 0.1269523 -0.0785539
9 -0.0117407 -0.0330907 0.0117405 -0.0330903 0.4905591 0.0070751 0.1938489 -0.1069591 0.0223663 -0.1621397
10 -0.0007313 -0.0255638 0.0007313 -0.0255612 0.1199974 0.2849345 -0.3627879 -0.1263078 -0.0902177 0.0823292
11 0.0047930 0.0212232 -0.0047931 0.0212270 -0.4169076 0.3283385 0.0520419 0.2965206 0.0277912 0.3345821
12 0.0001095 0.0099716 -0.0001094 0.0099690 -0.0882709 -0.1517482 0.1712257 0.1982175 0.3022730 -0.3220422
13 0.0015079 0.0101372 -0.0015078 0.0101321 -0.2409229 0.3595028 0.1746803 0.2474058 -0.0036688 0.0895143
14 -0.0000462 -0.0039995 0.0000461 -0.0040000 0.0774196 0.0151376 -0.0312235 -0.1969527 -0.3892248 0.3514160
15 -0.0004463 -0.0042756 0.0004463 -0.0042703 0.1223941 -0.3668244 -0.2807167 -0.0596189 0.1334638 0.1424454
16 0.0000188 0.0017571 -0.0000189 0.0017648 -0.0636422 0.0657028 -0.0175175 0.1290116 0.4107352 -0.2888452
17 -0.0001102 -0.0014296 0.0001101 -0.0014203 0.0485127 -0.2527084 -0.2186964 0.0355050 0.2579085 0.3065676
18 -0.0000042 -0.0005509 0.0000043 -0.0005503 0.0259819 -0.1174842 -0.1174182 0.1170673 -0.2862653 0.0852706
19 -0.0000275 -0.0004189 0.0000272 -0.0004086 0.0183194 -0.1214919 -0.0825589 -0.0104319 0.3811764 0.3798420
20 -0.0000008 0.0001865 0.0000007 0.0001789 -0.0004642 0.1634617 0.3245804 -0.3885017 0.2456290 0.1329327
21 0.0000069 0.0001273 -0.0000056 0.0000952 -0.0081023 0.0643522 0.0428784 -0.0006259 -0.3302124 -0.3219806
22 -0.0000002 0.0000840 0.0000001 0.0000586 0.0068315 0.1535136 0.3661486 -0.4411242 0.1216109 0.1537883
23 -0.0000015 -0.0000323 0.0000000 0.0000000 0.0035692 -0.0234496 -0.0157106 0.0095468 0.1383127 0.1424602
24 0.0000000 0.0000270 0.0000000 0.0000000 0.0044732 0.0721805 0.1910143 -0.2265863 0.0188121 0.0640557
11 12 13 14 15 16 17 18 19 20
1 -0.0616977 -0.1209156 0.0465182 -0.1001852 0.1126178 -0.0605694 0.0329718 0.0172365 -0.0276842 0.0159060
2 -0.1074869 0.0699434 0.1325455 0.0333709 0.0562925 0.0795964 0.0512277 -0.1220032 -0.0022016 0.0342173
3 0.1978678 0.4026357 -0.1763625 0.3965380 -0.5386873 0.2949947 -0.1912070 -0.0913140 0.1062862 -0.0851335
4 0.2248147 -0.1591252 -0.3863627 -0.1113200 -0.2185778 -0.3245147 -0.2256213 0.5793931 -0.0036423 -0.1909161
5 0.1852005 0.3475145 -0.0568020 0.0894408 0.3462404 -0.2512633 0.3175811 0.1279577 0.0653398 0.0893808
6 0.4215603 -0.2293770 -0.3778308 -0.0872253 0.0427743 0.0050068 0.1404208 -0.3705042 0.0598165 0.2556013
7 0.0690409 0.1612759 -0.1597761 0.3091546 -0.0434864 -0.0085103 0.2511252 0.0284019 0.2607128 0.1168288
8 -0.0464431 -0.0335718 -0.3025516 -0.1740542 -0.0979680 -0.2525636 -0.0389090 0.1281891 0.0699627 0.1669274
9 0.3000259 0.2704759 -0.0168205 0.0301552 0.2866411 -0.1777203 0.1234462 -0.0258667 -0.2610100 -0.1214297
10 0.2036213 -0.2512077 -0.2535596 -0.1259858 -0.0414787 0.0849921 -0.0053471 -0.4078379 -0.0450625 0.0202702
11 -0.0337013 0.0174120 -0.0944950 0.2848014 -0.0187964 -0.2386336 0.3995460 0.0204688 0.1395489 -0.0666232
12 -0.3324024 0.2052568 -0.1849836 -0.1672278 -0.1516278 -0.3011820 -0.1437555 -0.1802338 -0.0518021 0.3105024
13 0.1166041 0.2498918 -0.1886988 0.0172893 0.2029526 0.0737026 -0.2756537 -0.0710084 -0.5325684 0.0863936
14 0.0269424 0.0771995 0.2151438 0.1941275 -0.0192046 -0.0535064 -0.1683620 0.2251013 -0.1847635 0.3159001
15 -0.2568568 -0.1778081 -0.1360000 0.3515013 -0.1654080 -0.1445610 0.2362298 -0.0518731 -0.3535634 0.1361949
16 0.2676353 -0.3453428 0.0227142 0.1253209 0.0639287 0.3375442 0.1693116 0.2569593 -0.1362916 -0.1455410
17 -0.1249200 0.0659805 -0.2860399 0.1731277 0.2949063 0.0821756 -0.2221337 -0.0448266 -0.1942296 -0.2883984
18 -0.1900910 0.3104756 -0.1986379 -0.3245527 -0.0095579 0.0904815 0.1989342 -0.0769887 0.0945825 -0.4796054
19 0.1176011 0.1573958 -0.0363933 -0.1338186 0.2563639 0.1645798 -0.2246233 0.0960091 0.4300766 0.2003946
20 -0.0267189 -0.1695970 0.0874888 0.1790092 0.0147684 -0.3456427 -0.1972772 -0.2563848 0.1487927 -0.2430812
21 -0.2696161 -0.1735910 -0.2498970 0.3467619 0.3264872 0.0332115 -0.1445969 0.0128007 0.1479550 -0.1133066
22 -0.2574649 -0.0309621 -0.2081182 -0.1150069 -0.0658649 0.1681689 0.1602836 0.0341479 -0.0853974 -0.1445820
23 0.1741539 0.0895799 0.1976333 -0.1840982 -0.2622872 -0.1485661 0.2027425 -0.0592859 -0.2456365 -0.1987754
24 -0.2130394 0.0339513 -0.2305091 -0.1483640 -0.0050903 0.3579112 0.2707441 0.2404781 -0.1012189 0.3022499
21 22 23 24 25 26 27 28 29 30
1 -0.0111267 0.0206539 -0.0035946 0.0007248 0.0001804 0.0002833 0.0689361 0.0022239 0.0684033 -0.0816636
2 0.0474495 0.0041118 -0.0047829 0.0000549 -0.0002015 -0.0013859 0.1150983 0.1330967 -0.0590371 -0.0395603
3 0.0719746 -0.1426866 0.0226953 -0.0082383 0.0007220 -0.0021690 -0.0971121 0.0178472 -0.1181857 0.2061181
4 -0.2629249 -0.0151045 0.0292024 -0.0088742 0.0018014 0.0096763 -0.0135696 -0.1605459 0.0798249 0.0589587
5 -0.1602307 0.3151454 -0.0269977 0.0466787 -0.0127643 0.0085809 -0.3247915 -0.0332778 -0.3824971 0.3300771
6 0.3845296 0.0309609 -0.0754180 0.0468523 -0.0083383 -0.0206271 -0.1422771 -0.3781005 0.1660834 0.1809870
7 -0.1561175 0.4667780 -0.0352276 0.1140977 -0.0476267 0.0199185 0.5210851 0.0452728 0.3328140 -0.1998938
8 0.5064798 -0.0221098 -0.1712166 0.1118503 -0.0154196 -0.0487473 0.2283656 0.5345463 -0.3036180 -0.0698607
9 0.0305117 -0.4934212 0.1092393 -0.1891947 0.1051119 -0.0243752 0.4891697 -0.0373662 0.1594851 0.2748336
10 -0.4815209 0.0603157 0.2960803 -0.2095765 0.0154701 0.1021676 0.1210808 0.3596827 -0.3115073 0.0695762
11 0.0514334 -0.3117284 0.2000680 -0.1424085 0.1358525 -0.0217822 -0.4174450 0.3212012 0.2161083 -0.2805499
12 -0.0088043 0.0965959 0.3128247 -0.3053069 0.0275050 0.1560035 -0.0883120 -0.1850079 0.1818100 -0.2605774
13 -0.1183518 0.1083314 -0.3473959 0.0450074 -0.1774576 0.0145036 -0.2413932 0.3180688 0.3216765 -0.1169286
14 0.2672891 0.2123783 0.2227569 -0.3804257 0.0076629 0.2468471 0.0770973 0.0153061 -0.0955420 0.2353571
15 -0.1369380 -0.1641858 -0.3835947 -0.1268244 -0.1876964 0.0063765 0.1238051 -0.2959933 -0.3684112 -0.2278999
16 0.1972677 0.1702779 0.0116917 -0.3392027 -0.0226443 0.2876126 -0.0631109 0.0804968 0.0760088 -0.0701056
17 0.1945918 0.1512376 0.3509192 0.2645034 0.2711708 -0.0207423 0.0488993 -0.1917092 -0.2571400 -0.3267883
18 0.1171808 0.0655431 -0.2302087 -0.2606284 -0.0678282 0.3923985 0.0269141 -0.0888253 -0.1071242 -0.1809272
19 -0.0733810 -0.2132864 -0.0815424 -0.2597797 -0.3547295 -0.0452514 0.0170128 -0.0911293 -0.1174393 -0.2074880
20 0.0034222 0.0426616 -0.1633818 0.1049824 -0.0596725 0.4735946 -0.0037962 0.0735706 0.1783001 0.3876812
21 0.0735633 -0.0820359 0.1983129 -0.0418062 -0.5185609 -0.0816342 -0.0043313 0.0310760 0.0427671 0.0851425
22 0.0313555 0.2087481 -0.0237017 -0.3198850 0.0514365 -0.4980054 0.0014225 0.0366737 0.1153792 0.2573635
23 0.1310244 0.1073114 0.3514677 0.1863120 -0.6457890 -0.0927893 0.0000000 0.0000000 0.0000000 0.0000000
24 -0.0984590 -0.2400466 0.1834437 0.3790330 -0.0578105 0.4157502 0.0000000 0.0000000 0.0000000 0.0000000
31 32 33 34 35 36 37 38 39 40
1 -0.0417935 0.0354178 -0.0401466 0.1365464 0.0088336 0.1152374 -0.1118872 -0.0175352 0.0195643 0.0120183
2 0.0551442 -0.0172477 -0.1476559 -0.0460554 0.1201483 0.0000236 -0.0271086 0.1086465 -0.0792008 0.0595850
3 0.1191817 -0.1115458 0.1421113 -0.4607351 -0.0422160 -0.4915742 0.5565434 0.1017176 -0.0637399 -0.0456153
4 -0.1000195 0.0337335 0.3522699 0.1043032 -0.4128174 0.0043136 0.1117392 -0.4852399 0.3755484 -0.3022007
5 0.1833950 -0.1374953 0.0864453 -0.3712765 0.0287824 0.0409416 -0.4970272 -0.1890965 -0.1051026 -0.0407166
6 -0.1730774 0.0632553 0.5351837 0.1417969 -0.1951011 0.0288203 -0.0868476 0.1978717 -0.2703865 0.2574183
7 -0.0463220 0.0620021 0.1341588 -0.2392496 0.0006440 -0.3004643 -0.1046776 -0.1260074 -0.2777040 -0.0730046
8 0.1386634 -0.0574297 0.1066916 0.0368603 -0.3767208 0.0864612 -0.0075698 -0.2141380 0.0411693 -0.0049258
9 0.1166876 -0.1006633 0.1617043 -0.2957232 0.0500563 0.0838645 -0.3594320 0.0384280 0.1214410 0.0893278
10 -0.1131343 0.0616734 0.3277986 0.2093967 -0.1579886 0.0476734 0.0712430 0.2822493 -0.1682002 0.2721442
11 -0.1743637 0.2381717 0.0296307 -0.0903714 -0.0603532 -0.3031209 -0.3074972 -0.2110082 -0.2659585 -0.0396396
12 0.3862943 -0.2555101 -0.2202201 -0.1311821 -0.4263326 0.0969023 0.0568855 -0.0635855 0.0303690 0.3502769
13 -0.0722116 0.0177600 0.1663080 -0.3045571 -0.0419764 0.0993639 -0.0344715 0.3020369 0.4436065 0.2374687
14 -0.4709702 0.2135555 -0.1596967 -0.1044263 0.1404742 -0.1096031 0.0363457 -0.1367315 0.3183869 0.0878556
15 0.0495663 0.1984334 -0.0933214 0.1154657 -0.1371704 -0.4471694 -0.1537442 -0.0316801 0.0286504 0.2764160
16 0.4824260 -0.0283000 0.3344051 0.2950977 0.3100684 -0.1691766 -0.0339531 0.1150739 0.0772725 -0.3520134
17 0.0607865 0.3303621 0.0830121 -0.1911611 -0.1134433 -0.0277566 -0.1641675 0.3964798 0.3319795 -0.2009740
18 -0.3358313 -0.2345087 -0.0750460 -0.2119443 -0.2476520 0.2352718 0.0092124 0.2153854 -0.2944851 -0.4198308
19 0.1377030 0.4382509 0.1804552 -0.2776210 0.1865161 0.3925089 0.1488718 -0.1577569 -0.1141963 -0.0355332
20 0.2523592 0.4908266 -0.2296132 0.0519196 -0.2303284 -0.0102465 -0.0389333 0.0363750 -0.0686334 0.0222605
21 -0.0788990 -0.2165657 -0.1069699 0.1324419 -0.1604794 -0.2628369 -0.2911115 0.2625918 0.1761794 -0.2321976
22 0.1114944 0.2979334 -0.2075965 0.0018945 -0.3088025 0.0661451 0.0641075 0.2298091 -0.1410978 -0.2942184
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
41 42 43 44 45 46
1 0.0165031 0.0131883 0.0220216 0.0038029 -0.0005050 -0.0002597
2 -0.0398699 0.0361770 -0.0055908 0.0040983 0.0001093 0.0012745
3 -0.0868529 -0.0658479 -0.1530124 -0.0294313 -0.0003330 0.0024279
4 0.2287288 -0.1931824 0.0351079 -0.0295054 -0.0027496 -0.0095788
5 0.1027161 0.0304897 0.3475463 0.0808840 0.0107588 -0.0104141
6 -0.3348774 0.2848655 -0.0435341 0.0882737 0.0157672 0.0217351
7 0.0045738 0.0047828 0.5096162 0.1592088 0.0440798 -0.0244166
8 -0.3729664 0.3595040 -0.1524626 0.1925337 0.0345087 0.0534251
9 0.1240601 -0.0498839 -0.5002638 -0.2716187 -0.1121404 0.0318876
10 0.2673728 -0.3420588 0.2343387 -0.3387537 -0.0535104 -0.1142760
11 -0.0274665 -0.0736988 -0.2877303 -0.2669986 -0.1705595 0.0318968
12 -0.1055581 0.0506769 0.1920127 -0.4132651 -0.0743786 -0.1776195
13 0.2810417 0.1699163 0.0578975 0.2417209 0.2591575 -0.0263931
14 -0.1877131 0.3827781 0.2035579 -0.3998375 -0.0443378 -0.2805353
15 0.3768511 0.2102647 -0.1959516 0.0785451 0.3075011 -0.0170484
16 0.0755645 0.3398404 0.0424364 -0.2277726 0.0092628 -0.3273929
17 -0.2377292 -0.1380442 0.0830740 0.0656002 -0.4383908 0.0400000
18 0.1998553 0.1581464 -0.1662409 0.0073004 0.0779930 -0.4528726
19 -0.1557800 -0.1074707 -0.0464055 -0.2313953 0.5155579 0.0309985
20 -0.0508964 -0.1932243 -0.0679804 0.2622613 0.0268206 -0.5295706
21 -0.3647363 -0.2873978 0.0509286 -0.1768365 0.5636607 0.0636005
22 0.2436969 0.3276931 0.1243923 -0.2378498 0.0126112 0.5198169
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Iter=13 L=4 The G Matrix
0 1 2 3
0 0.286888563536297 -0.000352371730588 -0.001129379555908 0.000476261110186
1 -0.000000000000000 0.490253512211790 -0.000769199022642 -0.000999345596376
2 0.000000000072851 -0.000000000000089 1.709334478747480 0.168667106422578
3 0.000000000081697 -0.000000000000219 0.169290504813535 1.098397011087532
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000013933956
Norm of residual vector 0 after precondition 0.0000013933956
1 0.2868885635 1.28e-15 1.39e-06 N
Norm of residual vector af preconditioning 0.0000003124455
Norm of residual vector 1 before precondition 0.0000334311385
Norm of residual vector 1 after precondition 0.0000334311385
2 0.4902535122 -8.33e-16 3.34e-05 N
Norm of residual vector af preconditioning 0.0000107169265
Iter=14 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.5101939129
FSD , D(norm sigma)= -0.0001083924
WamefSD, D(norm sigma)= -0.0061839271
WmnieSD, D(norm sigma)= 0.0083192216
WmaijDS, D(norm sigma)= 0.0068347760
WabejDS, D(norm sigma)= 0.0012440657
WnmjeDS, D(norm sigma)= -0.0000082607
WbmfeDS, D(norm sigma)= -0.0000268482
Fbe_FDD , D(norm sigma)= 1.4734564591
Fmj_DD, D(norm sigma)= 3.9764344288
WmnijDD, D(norm sigma)= 0.8296434936
WabefDD, D(norm sigma)= 0.2512293491
WmbejDD, D(norm sigma)= -1.0275765834
WmnefDD XAF, D(norm sigma)= 0.0003978941
WmnefDD XLI, D(norm sigma)= 0.0000947718
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6288366154
FSD , D(norm sigma)= -0.0000408211
WamefSD, D(norm sigma)= -0.0045143766
WmnieSD, D(norm sigma)= 0.0151102985
WmaijDS, D(norm sigma)= 0.0115938579
WabejDS, D(norm sigma)= 0.0009769520
WnmjeDS, D(norm sigma)= 0.0000106042
WbmfeDS, D(norm sigma)= -0.0000820762
Fbe_FDD , D(norm sigma)= 1.1544843759
Fmj_DD, D(norm sigma)= 3.7152823853
WmnijDD, D(norm sigma)= 0.8062950130
WabefDD, D(norm sigma)= 0.2271914429
WmbejDD, D(norm sigma)= -0.8587138562
WmnefDD XAF, D(norm sigma)= 0.0004066117
WmnefDD XLI, D(norm sigma)= 0.0001017829
resetting norm
The G Matrix
0 1 2 3 4
0 0.286888563536297 -0.000352371730588 -0.001129379555908 0.000476261110186 -0.000879045269009
1 -0.000000000000000 0.490253512211790 -0.000769199022642 -0.000999345596376 0.000341612843868
2 0.000000000072851 -0.000000000000089 1.709334478747480 0.168667106422578 1.037665902530284
3 0.000000000081697 -0.000000000000219 0.169290504813535 1.098397011087532 0.236088841768686
4 0.000000961009335 0.000018136722697 1.037175836529771 0.236738975044015 3.297955165553042
5 0.000000141845540 -0.000012745275558 0.191655758117549 0.779407632415540 0.675552604852371
5
0 0.001839361823341
1 -0.001083839798491
2 0.192050400420077
3 0.777318841077182
4 0.674163492188598
5 2.901531092509569
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003671353
Norm of residual vector 0 after precondition 0.0000003671353
1 0.2868885636 9.40e-11 3.67e-07 Y
Norm of residual vector 1 before precondition 0.0000141883519
Norm of residual vector 1 after precondition 0.0000141883519
2 0.4902535008 -1.14e-08 1.42e-05 N
Norm of residual vector af preconditioning 0.0000041155455
Iter=15 L=7 resetting norm
SigmaSS, D(norm sigma)= 0.7399409205
FSD , D(norm sigma)= -0.0001037912
WamefSD, D(norm sigma)= 0.0102768198
WmnieSD, D(norm sigma)= 0.0075830257
WmaijDS, D(norm sigma)= 0.0145838854
WabejDS, D(norm sigma)= 0.0068584140
WnmjeDS, D(norm sigma)= -0.0000952689
WbmfeDS, D(norm sigma)= -0.0000420951
Fbe_FDD , D(norm sigma)= 1.2260307299
Fmj_DD, D(norm sigma)= 3.6442367934
WmnijDD, D(norm sigma)= 0.7627161590
WabefDD, D(norm sigma)= 0.2524719331
WmbejDD, D(norm sigma)= -0.9464362393
WmnefDD XAF, D(norm sigma)= 0.0003077782
WmnefDD XLI, D(norm sigma)= 0.0000319375
resetting norm
The G Matrix
0 1 2 3 4
0 0.286888563536297 -0.000352371730588 -0.001129379555908 0.000476261110186 -0.000879045269009
1 -0.000000000000000 0.490253512211790 -0.000769199022642 -0.000999345596376 0.000341612843868
2 0.000000000072851 -0.000000000000089 1.709334478747480 0.168667106422578 1.037665902530284
3 0.000000000081697 -0.000000000000219 0.169290504813535 1.098397011087532 0.236088841768686
4 0.000000961009335 0.000018136722697 1.037175836529771 0.236738975044015 3.297955165553042
5 0.000000141845540 -0.000012745275558 0.191655758117549 0.779407632415540 0.675552604852371
6 0.000000223915492 0.000010913265346 0.131981624310405 -0.199044279326592 0.890413153062611
5 6
0 0.001839361823341 -0.003253253620066
1 -0.001083839798491 0.000222262862957
2 0.192050400420077 0.134207210846068
3 0.777318841077182 -0.197104307093427
4 0.674163492188598 0.889242101905592
5 2.901531092509569 -1.075227812476698
6 -1.076875087278189 3.136568722596439
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002935229
Norm of residual vector 0 after precondition 0.0000002935229
1 0.2868885635 -1.74e-10 2.94e-07 Y
Norm of residual vector 1 before precondition 0.0000053639211
Norm of residual vector 1 after precondition 0.0000053639211
2 0.4902534975 -3.28e-09 5.36e-06 N
Norm of residual vector af preconditioning 0.0000015127742
Iter=16 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.6083841789
FSD , D(norm sigma)= -0.0000553881
WamefSD, D(norm sigma)= 0.0153662392
WmnieSD, D(norm sigma)= 0.0263552516
WmaijDS, D(norm sigma)= 0.0064603226
WabejDS, D(norm sigma)= 0.0015426726
WnmjeDS, D(norm sigma)= -0.0000403175
WbmfeDS, D(norm sigma)= -0.0000427501
Fbe_FDD , D(norm sigma)= 1.4366317221
Fmj_DD, D(norm sigma)= 4.5402217879
WmnijDD, D(norm sigma)= 0.9302210385
WabefDD, D(norm sigma)= 0.2742472532
WmbejDD, D(norm sigma)= -1.0015213412
WmnefDD XAF, D(norm sigma)= 0.0004862003
WmnefDD XLI, D(norm sigma)= 0.0000342495
resetting norm
The G Matrix
0 1 2 3 4
0 0.286888563536297 -0.000352371730588 -0.001129379555908 0.000476261110186 -0.000879045269009
1 -0.000000000000000 0.490253512211790 -0.000769199022642 -0.000999345596376 0.000341612843868
2 0.000000000072851 -0.000000000000089 1.709334478747480 0.168667106422578 1.037665902530284
3 0.000000000081697 -0.000000000000219 0.169290504813535 1.098397011087532 0.236088841768686
4 0.000000961009335 0.000018136722697 1.037175836529771 0.236738975044015 3.297955165553042
5 0.000000141845540 -0.000012745275558 0.191655758117549 0.779407632415540 0.675552604852371
6 0.000000223915492 0.000010913265346 0.131981624310405 -0.199044279326592 0.890413153062611
7 -0.000000134880389 -0.000004033121914 -0.275799887067446 0.009812779534319 -0.674845085945535
5 6 7
0 0.001839361823341 -0.003253253620066 0.009800800668111
1 -0.001083839798491 0.000222262862957 0.001497445321470
2 0.192050400420077 0.134207210846068 -0.275332435654822
3 0.777318841077182 -0.197104307093427 0.009818143644677
4 0.674163492188598 0.889242101905592 -0.675553823994696
5 2.901531092509569 -1.075227812476698 0.312288759846131
6 -1.076875087278189 3.136568722596439 -1.933876865720349
7 0.311681268772129 -1.930155837681074 3.756495637621613
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002941162
Norm of residual vector 0 after precondition 0.0000002941162
1 0.2868885636 1.58e-10 2.94e-07 Y
Norm of residual vector 1 before precondition 0.0000020070115
Norm of residual vector 1 after precondition 0.0000020070115
2 0.4902535001 2.52e-09 2.01e-06 N
Norm of residual vector af preconditioning 0.0000005553480
Iter=17 L=9 resetting norm
SigmaSS, D(norm sigma)= 0.7237096008
FSD , D(norm sigma)= -0.0001951939
WamefSD, D(norm sigma)= 0.0075905400
WmnieSD, D(norm sigma)= 0.0324242525
WmaijDS, D(norm sigma)= 0.0077648824
WabejDS, D(norm sigma)= 0.0034947323
WnmjeDS, D(norm sigma)= 0.0000000506
WbmfeDS, D(norm sigma)= -0.0000072853
Fbe_FDD , D(norm sigma)= 1.4031231909
Fmj_DD, D(norm sigma)= 4.1398085015
WmnijDD, D(norm sigma)= 0.8747860353
WabefDD, D(norm sigma)= 0.2685803532
WmbejDD, D(norm sigma)= -1.0067762846
WmnefDD XAF, D(norm sigma)= 0.0003598395
WmnefDD XLI, D(norm sigma)= 0.0000441400
resetting norm
The G Matrix
0 1 2 3 4
0 0.286888563536297 -0.000352371730588 -0.001129379555908 0.000476261110186 -0.000879045269009
1 -0.000000000000000 0.490253512211790 -0.000769199022642 -0.000999345596376 0.000341612843868
2 0.000000000072851 -0.000000000000089 1.709334478747480 0.168667106422578 1.037665902530284
3 0.000000000081697 -0.000000000000219 0.169290504813535 1.098397011087532 0.236088841768686
4 0.000000961009335 0.000018136722697 1.037175836529771 0.236738975044015 3.297955165553042
5 0.000000141845540 -0.000012745275558 0.191655758117549 0.779407632415540 0.675552604852371
6 0.000000223915492 0.000010913265346 0.131981624310405 -0.199044279326592 0.890413153062611
7 -0.000000134880389 -0.000004033121914 -0.275799887067446 0.009812779534319 -0.674845085945535
8 -0.000000068528427 -0.000001309685807 -0.002637987919376 -0.005541024966310 -0.221658165486415
5 6 7 8
0 0.001839361823341 -0.003253253620066 0.009800800668111 0.004966412343847
1 -0.001083839798491 0.000222262862957 0.001497445321470 0.002624439891408
2 0.192050400420077 0.134207210846068 -0.275332435654822 -0.002819011318286
3 0.777318841077182 -0.197104307093427 0.009818143644677 -0.006380907465136
4 0.674163492188598 0.889242101905592 -0.675553823994696 -0.221446087183732
5 2.901531092509569 -1.075227812476698 0.312288759846131 -0.055901490441622
6 -1.076875087278189 3.136568722596439 -1.933876865720349 -0.500044294507803
7 0.311681268772129 -1.930155837681074 3.756495637621613 1.888050658454171
8 -0.055846865635064 -0.501007808648903 1.889162541082687 3.571229125391076
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002882133
Norm of residual vector 0 after precondition 0.0000002882133
1 0.2868885636 1.10e-11 2.88e-07 Y
Norm of residual vector 1 before precondition 0.0000007598531
Norm of residual vector 1 after precondition 0.0000007598531
2 0.4902534988 -1.26e-09 7.60e-07 Y
Collapsing to only 2 vector(s).
alpha
1 2 3 4 5 6 7 8 9
1 -1.0000000 -0.0017326 -0.0021064 -0.0028995 -0.0024253 -0.0004301 0.0006202 -0.0003360 -0.0016508
2 -0.0000000 0.9999985 -0.0002199 0.0018107 -0.0009384 0.0000732 0.0008272 0.0002527 -0.0002946
3 -0.0000003 0.0000131 -0.3016276 -0.2554488 0.7531861 -0.3599792 0.2001076 -0.3067393 0.0968727
4 -0.0000000 -0.0000175 0.6709609 -0.6372157 0.1122107 0.2664187 -0.0929645 -0.2326365 -0.0211947
5 0.0000005 -0.0000162 0.2523797 0.2352920 -0.3663994 -0.3058789 0.4144029 -0.6351522 0.2748536
6 -0.0000001 0.0000179 -0.4397183 0.0241175 -0.0832744 0.5007147 -0.3458796 -0.6426160 -0.1318770
7 -0.0000001 0.0000086 -0.3764236 -0.4580618 -0.2646752 0.3176637 0.4397973 0.1831268 0.5020388
8 -0.0000000 0.0000029 -0.2258964 -0.4473729 -0.3934038 -0.3721464 0.1428915 -0.0418947 -0.6581761
9 0.0000000 -0.0000008 0.0951637 0.2505660 0.2326157 0.4644950 0.6679157 0.0112657 -0.4604225
alpha_old
1 2 3 4 5 6 7 8
1 -1.0000000 0.0017326 0.0014028 -0.0019734 -0.0025839 0.0017172 -0.0003337 -0.0016034
2 -0.0000000 -0.9999985 0.0009504 0.0011703 -0.0010053 0.0008596 0.0002437 -0.0001034
3 -0.0000003 -0.0000129 0.2808277 -0.4257586 0.7369660 0.2806639 -0.3095020 0.1344496
4 -0.0000000 0.0000174 -0.7395211 -0.5929998 -0.0717099 -0.2091226 -0.2315975 -0.0352560
5 0.0000005 0.0000161 -0.2373639 0.3850224 -0.1949614 0.4669005 -0.6413192 0.3553761
6 -0.0000001 -0.0000177 0.4496131 -0.0799017 -0.2480313 -0.5334099 -0.6380719 -0.1983646
7 -0.0000001 -0.0000081 0.3147856 -0.4848340 -0.4892968 0.1254374 0.1748253 0.6186784
8 -0.0000000 -0.0000022 0.1290657 -0.2781816 -0.3358427 0.5993622 -0.0397627 -0.6574755
alpha_tot
1 2 3 4 5 6 7 8 9
1 -1.0000000 -0.0017326 -0.0021064 -0.0028995 -0.0024253 -0.0004301 0.0006202 -0.0003360 -0.0016508
2 -0.0000000 0.9999985 -0.0002199 0.0018107 -0.0009384 0.0000732 0.0008272 0.0002527 -0.0002946
3 -0.0000003 0.0000131 -0.3016276 -0.2554488 0.7531861 -0.3599792 0.2001076 -0.3067393 0.0968727
4 -0.0000000 -0.0000175 0.6709609 -0.6372157 0.1122107 0.2664187 -0.0929645 -0.2326365 -0.0211947
5 0.0000005 -0.0000162 0.2523797 0.2352920 -0.3663994 -0.3058789 0.4144029 -0.6351522 0.2748536
6 -0.0000001 0.0000179 -0.4397183 0.0241175 -0.0832744 0.5007147 -0.3458796 -0.6426160 -0.1318770
7 -0.0000001 0.0000086 -0.3764236 -0.4580618 -0.2646752 0.3176637 0.4397973 0.1831268 0.5020388
8 -0.0000000 0.0000029 -0.2258964 -0.4473729 -0.3934038 -0.3721464 0.1428915 -0.0418947 -0.6581761
9 0.0000000 -0.0000008 0.0951637 0.2505660 0.2326157 0.4644950 0.6679157 0.0112657 -0.4604225
Procedure converged for 2 root(s).
<R|R> = 0.9999999999999999
EOM CCSD R0 for root 0 = 0.00000000000
<R|R> = 0.9999999999999999
EOM CCSD R0 for root 1 = 0.00000000000
Final Energetic Summary for Converged Roots of Irrep A1
Excitation Energy Total Energy
(eV) (cm^-1) (au) (au)
EOM State 5 7.807 62964.8 0.2868885636 -38.7458590086
Largest components of excited wave function #5:
RIA alpha
3 0 -0.9548481954
3 2 -0.0991185478
3 3 0.0958188624
3 1 0.0183798064
1 10 0.0156470065
Ria beta
1 11 -0.0978484707
1 12 -0.0386607798
2 9 -0.0128543933
2 10 -0.0061981227
1 14 0.0059846426
RIJAB alpha
3 2 1 0 -0.0471347260
4 3 15 0 -0.0355791471
4 3 13 0 -0.0341496062
3 1 3 0 -0.0328298509
3 2 2 0 0.0326945648
Rijab beta
2 1 9 2 -0.0020879780
2 1 17 12 -0.0014525341
2 1 9 6 -0.0012852069
2 1 9 3 0.0011579813
2 1 16 13 0.0010960818
RIjAb alpha,beta
3 1 0 0 0.0885803393
3 2 0 15 0.0865303925
1 1 0 11 0.0633762081
3 2 0 17 0.0579813967
3 2 13 0 0.0537343043
EOM State 6 13.340 107598.2 0.4902534988 -38.5424940735
Largest components of excited wave function #6:
RIA alpha
3 2 -0.1333339954
3 0 0.1055910654
3 1 -0.0982942240
2 11 0.0566089333
4 8 -0.0527947736
Ria beta
1 11 -0.9146434676
1 12 -0.1699579487
2 9 -0.0146526508
1 14 0.0067447487
2 10 -0.0025301224
RIJAB alpha
4 3 13 0 0.0114623988
4 3 15 0 0.0104189516
3 2 1 0 0.0095851380
3 2 2 0 -0.0092236446
3 2 14 13 0.0057541065
Rijab beta
2 1 9 2 -0.0199550197
2 1 15 12 -0.0184507630
2 1 17 12 -0.0153432901
2 1 9 3 0.0121714378
2 1 15 11 -0.0104801021
RIjAb alpha,beta
2 2 13 11 0.1405966507
4 2 2 11 0.0884482120
2 2 14 11 -0.0878997183
2 2 15 11 0.0735319090
3 2 8 11 -0.0609654702
Symmetry of excited state: A2
Symmetry of right eigenvector: B2
Obtaining initial guess from singles-singles block of Hbar...SigmaSS, D(norm sigma)= 0.9438801067
SigmaSS, D(norm sigma)= 0.2679267645
SigmaSS, D(norm sigma)= -0.6998307035
SigmaSS, D(norm sigma)= 0.2699301101
SigmaSS, D(norm sigma)= 10.3897457801
SigmaSS, D(norm sigma)= 0.2766366587
SigmaSS, D(norm sigma)= -10.6168435300
SigmaSS, D(norm sigma)= 0.2800262179
SigmaSS, D(norm sigma)= 0.1080174422
SigmaSS, D(norm sigma)= 0.8537287438
SigmaSS, D(norm sigma)= -1.5269153313
SigmaSS, D(norm sigma)= 0.3519823833
SigmaSS, D(norm sigma)= -0.5566970096
SigmaSS, D(norm sigma)= 0.1859594047
SigmaSS, D(norm sigma)= -0.1941393952
SigmaSS, D(norm sigma)= 0.1620418305
SigmaSS, D(norm sigma)= -0.1620418305
SigmaSS, D(norm sigma)= 0.1620418305
SigmaSS, D(norm sigma)= 0.5964705016
SigmaSS, D(norm sigma)= -0.0255663768
SigmaSS, D(norm sigma)= -0.7658106620
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= -0.1619357715
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= 0.7669266264
SigmaSS, D(norm sigma)= 0.3732037101
SigmaSS, D(norm sigma)= -1.3020661080
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= 0.7669266264
SigmaSS, D(norm sigma)= 0.3732037101
SigmaSS, D(norm sigma)= 0.0758756663
SigmaSS, D(norm sigma)= 0.2236590006
SigmaSS, D(norm sigma)= -1.6016007749
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= 0.7669266264
SigmaSS, D(norm sigma)= 0.3732037101
SigmaSS, D(norm sigma)= 0.0758756663
SigmaSS, D(norm sigma)= 0.2236590006
SigmaSS, D(norm sigma)= 0.2793317043
SigmaSS, D(norm sigma)= 0.1104619126
SigmaSS, D(norm sigma)= -1.9913943917
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= 0.7669266264
SigmaSS, D(norm sigma)= 0.3732037101
SigmaSS, D(norm sigma)= 0.0758756663
SigmaSS, D(norm sigma)= 0.2236590006
SigmaSS, D(norm sigma)= 0.2793317043
SigmaSS, D(norm sigma)= 0.1104619126
SigmaSS, D(norm sigma)= 1.2183254366
SigmaSS, D(norm sigma)= -0.1251045980
SigmaSS, D(norm sigma)= -3.0846152304
SigmaSS, D(norm sigma)= 0.1619357715
SigmaSS, D(norm sigma)= 0.7669266264
SigmaSS, D(norm sigma)= 0.3732037101
SigmaSS, D(norm sigma)= 0.0758756663
SigmaSS, D(norm sigma)= 0.2236590006
SigmaSS, D(norm sigma)= 0.2793317043
SigmaSS, D(norm sigma)= 0.1104619126
SigmaSS, D(norm sigma)= 1.2183254366
SigmaSS, D(norm sigma)= -0.1251045980
SigmaSS, D(norm sigma)= 2.4632406055
SigmaSS, D(norm sigma)= -1.8346265365
SigmaSS, D(norm sigma)= -3.7137809426
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= -0.1608015487
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= -1.8703273856
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= -4.4004127229
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= 3.1369366716
SigmaSS, D(norm sigma)= -7.5373493945
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= 3.1369366716
SigmaSS, D(norm sigma)= -1.4620554939
SigmaSS, D(norm sigma)= -6.0752939005
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= 3.1369366716
SigmaSS, D(norm sigma)= -1.4620554939
SigmaSS, D(norm sigma)= -2.3340990456
SigmaSS, D(norm sigma)= -3.7411948549
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= 3.1369366716
SigmaSS, D(norm sigma)= -1.4620554939
SigmaSS, D(norm sigma)= -2.3340990456
SigmaSS, D(norm sigma)= 0.2647164286
SigmaSS, D(norm sigma)= -4.0059112835
SigmaSS, D(norm sigma)= 0.1608015487
SigmaSS, D(norm sigma)= 2.2741815440
SigmaSS, D(norm sigma)= -0.5646557072
SigmaSS, D(norm sigma)= 2.8370344847
SigmaSS, D(norm sigma)= -0.3069491474
SigmaSS, D(norm sigma)= 3.1369366716
SigmaSS, D(norm sigma)= -1.4620554939
SigmaSS, D(norm sigma)= -2.3340990456
SigmaSS, D(norm sigma)= 0.2647164286
SigmaSS, D(norm sigma)= 1.7163371789
SigmaSS, D(norm sigma)= -5.7222484579
SigmaSS, D(norm sigma)= 0.1607992451
SigmaSS, D(norm sigma)= -0.1607992451
SigmaSS, D(norm sigma)= 0.1607992451
SigmaSS, D(norm sigma)= 1.6002542777
Done.
DPD File2: CME 0
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 6
Irrep: 1 row = 0 col = 3
Irrep: 2 row = 1 col = 2
Irrep: 3 row = 1 col = 8
File 141 DPD File2: CME 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 0) -0.000253918546949 -0.000041293791261 -0.000495964005769 0.000015169722015 -0.000166525074054 0.000320155682930
1 ( 1) -0.038321271854980 0.026854280894115 -0.030462931734565 -0.003852723918842 -0.005736077960680 0.002276987272763
2 ( 2) 0.030715103950286 0.002324719259811 0.007812622054541 -0.008207560283911 0.014455368878386 0.004243851852928
File 141 DPD File2: CME 0
Matrix for Irrep 1
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
File 141 DPD File2: CME 0
Matrix for Irrep 2
----------------------------------------
0 1
( 8) ( 9)
0 ( 3) -0.009080728059757 -0.012176993067385
File 141 DPD File2: CME 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 4) -0.042322157810751 -0.014212414528054 -0.025803006956035 0.018925017659229 0.013599617809095 -0.013258460110029 -0.001672997154436 0.007779670178161
DPD File2: Cme 0
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 6
Irrep: 1 row = 0 col = 4
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 1 col = 9
File 142 DPD File2: Cme 0
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
0 ( 0) -0.000200296077652 0.000384725051682 -0.000192626952586 0.000083617798839 0.000326442614491 0.000311884894330
1 ( 1) -0.061357639923641 0.045687944208255 -0.036851289484946 0.005709078513885 0.008802708118258 0.000428783051504
File 142 DPD File2: Cme 0
Matrix for Irrep 1
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
File 142 DPD File2: Cme 0
Matrix for Irrep 2
----------------------------------------
0 1
( 9) ( 10)
File 142 DPD File2: Cme 0
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 2) -0.981973071276627 -0.066646273381862 -0.073570744259210 -0.094442591597153 0.035323437778036 -0.014138431744544 -0.001951956016652 0.005773204609520 0.001524179897273
DPD File2: CME 1
DPD Parameters:
------------------
pnum = 0 qnum = 1 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 3 col = 6
Irrep: 1 row = 0 col = 3
Irrep: 2 row = 1 col = 2
Irrep: 3 row = 1 col = 8
File 141 DPD File2: CME 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 13) ( 14) ( 15) ( 16) ( 17) ( 18)
0 ( 0) 0.000456472661190 0.000375739736529 0.000655212433328 -0.000085489985574 -0.000457735293290 -0.000702986879927
1 ( 1) 0.074024587955970 0.026713847477133 0.028217817146592 -0.004537448918848 -0.023306482557184 -0.002700811281378
2 ( 2) 0.602544576789971 -0.024365900778433 0.108089423038793 -0.005384065678560 -0.004455485829376 -0.004615802571720
File 141 DPD File2: CME 1
Matrix for Irrep 1
----------------------------------------
0 1 2
( 10) ( 11) ( 12)
File 141 DPD File2: CME 1
Matrix for Irrep 2
----------------------------------------
0 1
( 8) ( 9)
0 ( 3) 0.016652429216082 0.006020334789189
File 141 DPD File2: CME 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7)
0 ( 4) 0.468862049734526 -0.024231031022190 0.060740122265137 -0.065433789476297 -0.004608579692532 0.014371568353320 0.004342492815303 0.000037041694003
DPD File2: Cme 1
DPD Parameters:
------------------
pnum = 2 qnum = 3 irrep = 3
Irreps = 4
Row and column dimensions for DPD Block:
----------------------------------------
Irrep: 0 row = 2 col = 6
Irrep: 1 row = 0 col = 4
Irrep: 2 row = 0 col = 2
Irrep: 3 row = 1 col = 9
File 142 DPD File2: Cme 1
Matrix for Irrep 0
----------------------------------------
0 1 2 3 4 5
( 15) ( 16) ( 17) ( 18) ( 19) ( 20)
0 ( 0) -0.000004450283287 0.000075188706522 -0.000215839639482 0.000085589074917 0.000339563729372 -0.000197975311764
1 ( 1) 0.106876793994032 0.022531643795481 0.044346712771583 0.011572817186387 0.018118915141388 0.004301776882834
File 142 DPD File2: Cme 1
Matrix for Irrep 1
----------------------------------------
0 1 2 3
( 11) ( 12) ( 13) ( 14)
File 142 DPD File2: Cme 1
Matrix for Irrep 2
----------------------------------------
0 1
( 9) ( 10)
File 142 DPD File2: Cme 1
Matrix for Irrep 3
----------------------------------------
0 1 2 3 4 5 6 7 8
( 0) ( 1) ( 2) ( 3) ( 4) ( 5) ( 6) ( 7) ( 8)
0 ( 2) 0.031467403277390 -0.595941017784339 0.047726744801287 -0.106881309876043 -0.061785692201010 -0.005450942945170 -0.004115041296369 0.000457847849620 -0.001146650547606
resetting norm
Iter=1 L=2 resetting norm
SigmaSS, D(norm sigma)= 0.2999912970
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0997980422
WabejDS, D(norm sigma)= 0.0894485527
WnmjeDS, D(norm sigma)= 0.0007823450
WbmfeDS, D(norm sigma)= 0.0030610812
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.4607905435
FSD , D(norm sigma)= 0.0000000000
WamefSD, D(norm sigma)= 0.0000000000
WmnieSD, D(norm sigma)= 0.0000000000
WmaijDS, D(norm sigma)= 0.0680239396
WabejDS, D(norm sigma)= 0.0049865652
WnmjeDS, D(norm sigma)= 0.0000587733
WbmfeDS, D(norm sigma)= 0.0013937118
Fbe_FDD , D(norm sigma)= 0.0000000000
Fmj_DD, D(norm sigma)= 0.0000000000
WmnijDD, D(norm sigma)= 0.0000000000
WabefDD, D(norm sigma)= 0.0000000000
WmbejDD, D(norm sigma)= 0.0000000000
WmnefDD XAF, D(norm sigma)= 0.0000000000
WmnefDD XLI, D(norm sigma)= 0.0000000000
resetting norm
The G Matrix
0 1
0 0.299991297029906 0.000324613212779
1 -0.000000000000000 0.460790429154756
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.3913239169198
Norm of residual vector 0 after precondition 0.3913239169198
1 0.2999912970 3.00e-01 3.91e-01 N
Norm of residual vector af preconditioning 0.1543250917321
Norm of residual vector 1 before precondition 0.2723995435119
Norm of residual vector 1 after precondition 0.2723995435119
2 0.4607904292 4.61e-01 2.72e-01 N
Norm of residual vector af preconditioning 0.1237113096562
Iter=2 L=4 resetting norm
SigmaSS, D(norm sigma)= 0.0000017429
FSD , D(norm sigma)= 0.0020385805
WamefSD, D(norm sigma)= 0.3502654716
WmnieSD, D(norm sigma)= 0.0843912809
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= -0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 1.2411408056
Fmj_DD, D(norm sigma)= 1.1782381072
WmnijDD, D(norm sigma)= 0.4669485557
WabefDD, D(norm sigma)= 0.5652750227
WmbejDD, D(norm sigma)= -1.6948911428
WmnefDD XAF, D(norm sigma)= 0.0062285944
WmnefDD XLI, D(norm sigma)= 0.0015634876
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.0000067298
FSD , D(norm sigma)= 0.0008504511
WamefSD, D(norm sigma)= 0.1322020144
WmnieSD, D(norm sigma)= 0.1655521967
WmaijDS, D(norm sigma)= 0.0000000000
WabejDS, D(norm sigma)= 0.0000000000
WnmjeDS, D(norm sigma)= 0.0000000000
WbmfeDS, D(norm sigma)= 0.0000000000
Fbe_FDD , D(norm sigma)= 1.1238716854
Fmj_DD, D(norm sigma)= 1.2273762812
WmnijDD, D(norm sigma)= 0.4626324337
WabefDD, D(norm sigma)= 0.3535385334
WmbejDD, D(norm sigma)= -1.3903257197
WmnefDD XAF, D(norm sigma)= 0.0071666376
WmnefDD XLI, D(norm sigma)= 0.0012133513
resetting norm
The G Matrix
0 1 2 3
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0880527635303
Norm of residual vector 0 after precondition 0.0880527635303
1 0.2162921735 -8.37e-02 8.81e-02 N
Norm of residual vector af preconditioning 0.0401211053313
Norm of residual vector 1 before precondition 0.0587074068242
Norm of residual vector 1 after precondition 0.0587074068242
2 0.4153372391 -4.55e-02 5.87e-02 N
Norm of residual vector af preconditioning 0.0367564167302
Iter=3 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.7944329312
FSD , D(norm sigma)= 0.0002040227
WamefSD, D(norm sigma)= 0.0231945480
WmnieSD, D(norm sigma)= -0.0248282032
WmaijDS, D(norm sigma)= 0.0272118498
WabejDS, D(norm sigma)= 0.0207479797
WnmjeDS, D(norm sigma)= 0.0000609547
WbmfeDS, D(norm sigma)= 0.0007883190
Fbe_FDD , D(norm sigma)= 0.7362701807
Fmj_DD, D(norm sigma)= 0.7963665544
WmnijDD, D(norm sigma)= 0.2761993112
WabefDD, D(norm sigma)= 0.2719558316
WmbejDD, D(norm sigma)= -0.9666961031
WmnefDD XAF, D(norm sigma)= 0.0016042906
WmnefDD XLI, D(norm sigma)= 0.0004240936
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6602977350
FSD , D(norm sigma)= -0.0002712942
WamefSD, D(norm sigma)= 0.0005979109
WmnieSD, D(norm sigma)= 0.0280159425
WmaijDS, D(norm sigma)= 0.0265842684
WabejDS, D(norm sigma)= 0.0097505353
WnmjeDS, D(norm sigma)= 0.0000250993
WbmfeDS, D(norm sigma)= 0.0003569865
Fbe_FDD , D(norm sigma)= 0.5056995000
Fmj_DD, D(norm sigma)= 0.7915805413
WmnijDD, D(norm sigma)= 0.2781037622
WabefDD, D(norm sigma)= 0.2287577694
WmbejDD, D(norm sigma)= -0.9005460212
WmnefDD XAF, D(norm sigma)= 0.0015566446
WmnefDD XLI, D(norm sigma)= 0.0001656817
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
5
0 -0.008995669453583
1 -0.028847172085609
2 -0.077978565025346
3 -0.407564020310657
4 -0.152445806729452
5 1.158955002383301
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0323950722824
Norm of residual vector 0 after precondition 0.0323950722824
1 0.2110767471 -5.22e-03 3.24e-02 N
Norm of residual vector af preconditioning 0.0117003178616
Norm of residual vector 1 before precondition 0.0373420361651
Norm of residual vector 1 after precondition 0.0373420361651
2 0.4120152018 -3.32e-03 3.73e-02 N
Norm of residual vector af preconditioning 0.0193425527734
Iter=4 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.5789818518
FSD , D(norm sigma)= 0.0002523850
WamefSD, D(norm sigma)= 0.0746185827
WmnieSD, D(norm sigma)= 0.0473585452
WmaijDS, D(norm sigma)= 0.0076764444
WabejDS, D(norm sigma)= 0.0043953126
WnmjeDS, D(norm sigma)= 0.0000486125
WbmfeDS, D(norm sigma)= -0.0000237265
Fbe_FDD , D(norm sigma)= 1.1765858082
Fmj_DD, D(norm sigma)= 1.2437082536
WmnijDD, D(norm sigma)= 0.4189148403
WabefDD, D(norm sigma)= 0.4293306871
WmbejDD, D(norm sigma)= -1.3579116864
WmnefDD XAF, D(norm sigma)= 0.0022328986
WmnefDD XLI, D(norm sigma)= 0.0003105676
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6860056338
FSD , D(norm sigma)= -0.0002517190
WamefSD, D(norm sigma)= 0.0107152222
WmnieSD, D(norm sigma)= 0.0518197447
WmaijDS, D(norm sigma)= 0.0188970154
WabejDS, D(norm sigma)= 0.0066099411
WnmjeDS, D(norm sigma)= 0.0000313154
WbmfeDS, D(norm sigma)= 0.0001019626
Fbe_FDD , D(norm sigma)= 0.7139546240
Fmj_DD, D(norm sigma)= 1.0943073932
WmnijDD, D(norm sigma)= 0.3311419210
WabefDD, D(norm sigma)= 0.2677320180
WmbejDD, D(norm sigma)= -0.9802638466
WmnefDD XAF, D(norm sigma)= 0.0012846570
WmnefDD XLI, D(norm sigma)= 0.0002067226
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
5 6 7
0 -0.008995669453583 -0.001100793848200 0.000671239541411
1 -0.028847172085609 -0.004272642252468 -0.004105173078503
2 -0.077978565025346 0.032399228755864 0.016531312564553
3 -0.407564020310657 -0.022310803431775 0.047923418654919
4 -0.152445806729452 0.610573570409336 0.065452350612368
5 1.158955002383301 -0.031762192315944 -0.605240453391078
6 -0.035679239055316 2.026088281816348 -0.009927878925635
7 -0.601521696778923 -0.009978240988578 1.523223378490449
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0108788950884
Norm of residual vector 0 after precondition 0.0108788950884
1 0.2104457426 -6.31e-04 1.09e-02 N
Norm of residual vector af preconditioning 0.0047783873971
Norm of residual vector 1 before precondition 0.0268978682078
Norm of residual vector 1 after precondition 0.0268978682078
2 0.4104980232 -1.52e-03 2.69e-02 N
Norm of residual vector af preconditioning 0.0133373850419
Iter=5 L=10 resetting norm
SigmaSS, D(norm sigma)= 0.6185720725
FSD , D(norm sigma)= 0.0001197917
WamefSD, D(norm sigma)= 0.0318405845
WmnieSD, D(norm sigma)= 0.0304205154
WmaijDS, D(norm sigma)= 0.0099054346
WabejDS, D(norm sigma)= 0.0047745816
WnmjeDS, D(norm sigma)= 0.0000003160
WbmfeDS, D(norm sigma)= 0.0001964111
Fbe_FDD , D(norm sigma)= 1.0164760593
Fmj_DD, D(norm sigma)= 1.0927382229
WmnijDD, D(norm sigma)= 0.3980525070
WabefDD, D(norm sigma)= 0.4033054281
WmbejDD, D(norm sigma)= -1.2824831776
WmnefDD XAF, D(norm sigma)= 0.0020961925
WmnefDD XLI, D(norm sigma)= 0.0002964116
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6960814539
FSD , D(norm sigma)= -0.0001386988
WamefSD, D(norm sigma)= -0.0000680825
WmnieSD, D(norm sigma)= 0.0749626318
WmaijDS, D(norm sigma)= 0.0136310328
WabejDS, D(norm sigma)= 0.0059933542
WnmjeDS, D(norm sigma)= 0.0000891139
WbmfeDS, D(norm sigma)= 0.0001235832
Fbe_FDD , D(norm sigma)= 0.8616726554
Fmj_DD, D(norm sigma)= 1.3025788914
WmnijDD, D(norm sigma)= 0.4138309953
WabefDD, D(norm sigma)= 0.3055213933
WmbejDD, D(norm sigma)= -1.1075401786
WmnefDD XAF, D(norm sigma)= 0.0031289669
WmnefDD XLI, D(norm sigma)= 0.0003905018
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0058336943675
Norm of residual vector 0 after precondition 0.0058336943675
1 0.2103321373 -1.14e-04 5.83e-03 N
Norm of residual vector af preconditioning 0.0025379258842
Norm of residual vector 1 before precondition 0.0149679052284
Norm of residual vector 1 after precondition 0.0149679052284
2 0.4097980081 -7.00e-04 1.50e-02 N
Norm of residual vector af preconditioning 0.0078757591096
Iter=6 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.7380769254
FSD , D(norm sigma)= -0.0000405840
WamefSD, D(norm sigma)= 0.0401858310
WmnieSD, D(norm sigma)= 0.0173929227
WmaijDS, D(norm sigma)= 0.0139867691
WabejDS, D(norm sigma)= 0.0107993107
WnmjeDS, D(norm sigma)= 0.0001572598
WbmfeDS, D(norm sigma)= 0.0000691486
Fbe_FDD , D(norm sigma)= 1.1441229800
Fmj_DD, D(norm sigma)= 1.0795293480
WmnijDD, D(norm sigma)= 0.3723736089
WabefDD, D(norm sigma)= 0.3745766627
WmbejDD, D(norm sigma)= -1.1897691589
WmnefDD XAF, D(norm sigma)= 0.0019566692
WmnefDD XLI, D(norm sigma)= 0.0002123604
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7756940615
FSD , D(norm sigma)= -0.0000307066
WamefSD, D(norm sigma)= 0.0022584833
WmnieSD, D(norm sigma)= 0.0308661229
WmaijDS, D(norm sigma)= 0.0236847500
WabejDS, D(norm sigma)= 0.0090235585
WnmjeDS, D(norm sigma)= 0.0000208682
WbmfeDS, D(norm sigma)= -0.0003722315
Fbe_FDD , D(norm sigma)= 0.6079180378
Fmj_DD, D(norm sigma)= 1.0690637906
WmnijDD, D(norm sigma)= 0.3316958398
WabefDD, D(norm sigma)= 0.2412134308
WmbejDD, D(norm sigma)= -0.8497334986
WmnefDD XAF, D(norm sigma)= 0.0006872639
WmnefDD XLI, D(norm sigma)= 0.0001194204
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
10 11
0 -0.025208915088032 -0.002475327616813
1 -0.006637266948787 0.006622061755279
2 -0.154895728350468 -0.029290867198196
3 -0.046365904295888 0.068621874222614
4 -0.257246843170080 -0.094593311797089
5 0.050711803670268 -0.156195032097203
6 -0.102858448254541 -0.174630377621567
7 -0.015314484481302 0.138634919414327
8 0.793575052157469 -0.073950650392286
9 0.037526928298500 0.488994957626798
10 1.958061166011804 -0.081719477600688
11 -0.081985221941999 1.457584648130984
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0026554051464
Norm of residual vector 0 after precondition 0.0026554051464
1 0.2103122849 -1.99e-05 2.66e-03 N
Norm of residual vector af preconditioning 0.0010499387141
Norm of residual vector 1 before precondition 0.0088974288892
Norm of residual vector 1 after precondition 0.0088974288892
2 0.4096214766 -1.77e-04 8.90e-03 N
Norm of residual vector af preconditioning 0.0037495117801
Iter=7 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.8212505979
FSD , D(norm sigma)= 0.0000818934
WamefSD, D(norm sigma)= 0.0594881127
WmnieSD, D(norm sigma)= 0.0434603379
WmaijDS, D(norm sigma)= 0.0124989158
WabejDS, D(norm sigma)= 0.0109121305
WnmjeDS, D(norm sigma)= 0.0000747325
WbmfeDS, D(norm sigma)= -0.0000064258
Fbe_FDD , D(norm sigma)= 1.1448369633
Fmj_DD, D(norm sigma)= 1.2080697172
WmnijDD, D(norm sigma)= 0.3794113136
WabefDD, D(norm sigma)= 0.3746630524
WmbejDD, D(norm sigma)= -1.1322186652
WmnefDD XAF, D(norm sigma)= 0.0018387418
WmnefDD XLI, D(norm sigma)= 0.0001027582
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.8031420047
FSD , D(norm sigma)= -0.0000980797
WamefSD, D(norm sigma)= 0.0144451769
WmnieSD, D(norm sigma)= 0.0333804862
WmaijDS, D(norm sigma)= 0.0146913290
WabejDS, D(norm sigma)= 0.0026443982
WnmjeDS, D(norm sigma)= -0.0000391755
WbmfeDS, D(norm sigma)= -0.0000685686
Fbe_FDD , D(norm sigma)= 0.9158440397
Fmj_DD, D(norm sigma)= 1.6928101915
WmnijDD, D(norm sigma)= 0.4906803061
WabefDD, D(norm sigma)= 0.3144959605
WmbejDD, D(norm sigma)= -0.9308515752
WmnefDD XAF, D(norm sigma)= 0.0016011345
WmnefDD XLI, D(norm sigma)= 0.0002906408
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
10 11 12 13
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0009223811247
Norm of residual vector 0 after precondition 0.0009223811247
1 0.2103095083 -2.78e-06 9.22e-04 N
Norm of residual vector af preconditioning 0.0003624745682
Norm of residual vector 1 before precondition 0.0046257275462
Norm of residual vector 1 after precondition 0.0046257275462
2 0.4095715790 -4.99e-05 4.63e-03 N
Norm of residual vector af preconditioning 0.0026239947855
Iter=8 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.6492551881
FSD , D(norm sigma)= -0.0000040536
WamefSD, D(norm sigma)= 0.0375947362
WmnieSD, D(norm sigma)= 0.0334509484
WmaijDS, D(norm sigma)= 0.0117913633
WabejDS, D(norm sigma)= 0.0079222907
WnmjeDS, D(norm sigma)= -0.0000021196
WbmfeDS, D(norm sigma)= 0.0001976009
Fbe_FDD , D(norm sigma)= 1.2140322840
Fmj_DD, D(norm sigma)= 1.2626543409
WmnijDD, D(norm sigma)= 0.4048690568
WabefDD, D(norm sigma)= 0.3837363709
WmbejDD, D(norm sigma)= -1.1740443094
WmnefDD XAF, D(norm sigma)= 0.0014453228
WmnefDD XLI, D(norm sigma)= 0.0004965140
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7147826265
FSD , D(norm sigma)= -0.0000577523
WamefSD, D(norm sigma)= -0.0062457588
WmnieSD, D(norm sigma)= 0.0318280241
WmaijDS, D(norm sigma)= 0.0209582424
WabejDS, D(norm sigma)= 0.0068939859
WnmjeDS, D(norm sigma)= 0.0000657504
WbmfeDS, D(norm sigma)= -0.0004759541
Fbe_FDD , D(norm sigma)= 0.7785941572
Fmj_DD, D(norm sigma)= 1.4050929877
WmnijDD, D(norm sigma)= 0.4199579439
WabefDD, D(norm sigma)= 0.2820941826
WmbejDD, D(norm sigma)= -0.8493516225
WmnefDD XAF, D(norm sigma)= 0.0009158879
WmnefDD XLI, D(norm sigma)= 0.0002288752
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
14 -0.021910418333404 0.003621203845380 -0.156097644844570 0.063482848176943 -0.214378046181992
15 0.004518877235517 -0.003121818464747 0.044727983611610 -0.034976109997762 0.093969901928196
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
14 -0.081665322152906 -0.131779041556866 0.150252456972368 0.047933733189697 -0.118925632445984
15 0.028617639240644 0.119389267945024 0.011589643016846 0.096450620949663 -0.165877584732191
10 11 12 13 14
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076 -0.023541042081838
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866 0.004269532698803
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425 -0.159197978322654
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910 0.065638376893129
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694 -0.214209983436479
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136 -0.087109716728754
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197 -0.134612380727846
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370 0.150862250185222
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115 0.047028063278221
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582 -0.120222074872808
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798 0.090441942405031
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295 0.098630922723021
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700 0.724808298449917
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562 0.102173202272015
14 0.088877001204169 0.097739981704753 0.725732574539524 0.100432683668935 2.046145692401481
15 -0.055382424885420 -0.050764317501665 0.116178977713729 0.802060502371935 0.070174207768335
15
0 0.004516538212091
1 -0.003499098068609
2 0.045317445468814
3 -0.034480672858640
4 0.095448245940556
5 0.026537654675008
6 0.121400164768807
7 0.008738051605721
8 0.096717408703534
9 -0.166877869953227
10 -0.053724428776963
11 -0.052976606851157
12 0.116980543919595
13 0.799771544768237
14 0.070283097917715
15 1.763884445557538
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0003342955567
Norm of residual vector 0 after precondition 0.0003342955567
1 0.2103100159 5.08e-07 3.34e-04 N
Norm of residual vector af preconditioning 0.0001301409577
Norm of residual vector 1 before precondition 0.0029024335326
Norm of residual vector 1 after precondition 0.0029024335326
2 0.4095572889 -1.43e-05 2.90e-03 N
Norm of residual vector af preconditioning 0.0014828080613
Iter=9 L=18 resetting norm
SigmaSS, D(norm sigma)= 0.7362378483
FSD , D(norm sigma)= 0.0000754990
WamefSD, D(norm sigma)= 0.0319266537
WmnieSD, D(norm sigma)= 0.0416717895
WmaijDS, D(norm sigma)= 0.0072322074
WabejDS, D(norm sigma)= 0.0048891743
WnmjeDS, D(norm sigma)= 0.0000331531
WbmfeDS, D(norm sigma)= 0.0000751345
Fbe_FDD , D(norm sigma)= 1.3570071592
Fmj_DD, D(norm sigma)= 1.4640686068
WmnijDD, D(norm sigma)= 0.4655671733
WabefDD, D(norm sigma)= 0.3954709480
WmbejDD, D(norm sigma)= -1.1817309862
WmnefDD XAF, D(norm sigma)= 0.0012013245
WmnefDD XLI, D(norm sigma)= 0.0003048075
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7714756477
FSD , D(norm sigma)= -0.0000594370
WamefSD, D(norm sigma)= -0.0048481773
WmnieSD, D(norm sigma)= 0.0323803136
WmaijDS, D(norm sigma)= 0.0081618952
WabejDS, D(norm sigma)= 0.0022262648
WnmjeDS, D(norm sigma)= 0.0000943458
WbmfeDS, D(norm sigma)= -0.0000482040
Fbe_FDD , D(norm sigma)= 0.9701536523
Fmj_DD, D(norm sigma)= 1.6971405770
WmnijDD, D(norm sigma)= 0.5130905669
WabefDD, D(norm sigma)= 0.3476605103
WmbejDD, D(norm sigma)= -0.9960265955
WmnefDD XAF, D(norm sigma)= 0.0010059600
WmnefDD XLI, D(norm sigma)= 0.0000628421
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
14 -0.021910418333404 0.003621203845380 -0.156097644844570 0.063482848176943 -0.214378046181992
15 0.004518877235517 -0.003121818464747 0.044727983611610 -0.034976109997762 0.093969901928196
16 -0.001642497340345 -0.004559450940660 -0.018106882622730 -0.043764763084325 -0.055766784006669
17 0.002369020301327 -0.004642125030605 0.012993977992600 -0.014855933304739 0.001831021199239
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
14 -0.081665322152906 -0.131779041556866 0.150252456972368 0.047933733189697 -0.118925632445984
15 0.028617639240644 0.119389267945024 0.011589643016846 0.096450620949663 -0.165877584732191
16 0.042974415877798 -0.070457060670425 -0.027298986709022 0.035627143469374 0.014782800901303
17 -0.035470997057348 -0.034160799320848 0.066996933769948 0.000220510292463 -0.087140955671859
10 11 12 13 14
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076 -0.023541042081838
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866 0.004269532698803
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425 -0.159197978322654
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910 0.065638376893129
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694 -0.214209983436479
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136 -0.087109716728754
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197 -0.134612380727846
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370 0.150862250185222
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115 0.047028063278221
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582 -0.120222074872808
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798 0.090441942405031
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295 0.098630922723021
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700 0.724808298449917
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562 0.102173202272015
14 0.088877001204169 0.097739981704753 0.725732574539524 0.100432683668935 2.046145692401481
15 -0.055382424885420 -0.050764317501665 0.116178977713729 0.802060502371935 0.070174207768335
16 0.148492667240255 -0.051533992141590 0.008367775461008 -0.100630906858761 1.057721014364300
17 0.023505709026209 -0.015575517586168 0.008796304544050 -0.175382066588384 0.001386795856186
15 16 17
0 0.004516538212091 -0.001288696714738 0.002504385690790
1 -0.003499098068609 -0.005510674618116 -0.004198740514689
2 0.045317445468814 -0.016659362205430 0.012997128479095
3 -0.034480672858640 -0.045246104038446 -0.014206644542376
4 0.095448245940556 -0.053851542898086 0.003036560738553
5 0.026537654675008 0.043757676869151 -0.035022956652917
6 0.121400164768807 -0.069114688735713 -0.033127075610544
7 0.008738051605721 -0.029309272806036 0.065576166023657
8 0.096717408703534 0.035581714869748 0.003035282085071
9 -0.166877869953227 0.016757794475940 -0.087417702928683
10 -0.053724428776963 0.149035014001109 0.022486037355268
11 -0.052976606851157 -0.050467374816760 -0.016629364535017
12 0.116980543919595 0.011551380965373 0.008970136969654
13 0.799771544768237 -0.102883709018943 -0.177945769410939
14 0.070283097917715 1.058724889241807 0.000934975795108
15 1.763884445557538 -0.146553756656498 -0.905530628000632
16 -0.146787614026071 2.366444534724314 0.018036855957281
17 -0.902425784965085 0.017245378041845 2.236153204800656
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0001334642228
Norm of residual vector 0 after precondition 0.0001334642228
1 0.2103100746 5.88e-08 1.33e-04 N
Norm of residual vector af preconditioning 0.0000449413668
Norm of residual vector 1 before precondition 0.0019664270895
Norm of residual vector 1 after precondition 0.0019664270895
2 0.4095526489 -4.64e-06 1.97e-03 N
Norm of residual vector af preconditioning 0.0008439818483
Iter=10 L=20 resetting norm
SigmaSS, D(norm sigma)= 0.7485939256
FSD , D(norm sigma)= 0.0000791419
WamefSD, D(norm sigma)= 0.0472564783
WmnieSD, D(norm sigma)= 0.0366386020
WmaijDS, D(norm sigma)= 0.0065161550
WabejDS, D(norm sigma)= 0.0033188795
WnmjeDS, D(norm sigma)= -0.0000089309
WbmfeDS, D(norm sigma)= 0.0000445291
Fbe_FDD , D(norm sigma)= 1.2121905275
Fmj_DD, D(norm sigma)= 1.7812708642
WmnijDD, D(norm sigma)= 0.5063041710
WabefDD, D(norm sigma)= 0.3850661110
WmbejDD, D(norm sigma)= -1.1209422756
WmnefDD XAF, D(norm sigma)= 0.0010174819
WmnefDD XLI, D(norm sigma)= 0.0002355743
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7866674055
FSD , D(norm sigma)= -0.0000548376
WamefSD, D(norm sigma)= 0.0135738891
WmnieSD, D(norm sigma)= 0.0134248948
WmaijDS, D(norm sigma)= 0.0107668085
WabejDS, D(norm sigma)= 0.0080734304
WnmjeDS, D(norm sigma)= 0.0000304447
WbmfeDS, D(norm sigma)= 0.0000474394
Fbe_FDD , D(norm sigma)= 1.0437246315
Fmj_DD, D(norm sigma)= 1.6434229143
WmnijDD, D(norm sigma)= 0.4700358066
WabefDD, D(norm sigma)= 0.3159989412
WmbejDD, D(norm sigma)= -1.0546725163
WmnefDD XAF, D(norm sigma)= 0.0014311557
WmnefDD XLI, D(norm sigma)= 0.0003184389
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
14 -0.021910418333404 0.003621203845380 -0.156097644844570 0.063482848176943 -0.214378046181992
15 0.004518877235517 -0.003121818464747 0.044727983611610 -0.034976109997762 0.093969901928196
16 -0.001642497340345 -0.004559450940660 -0.018106882622730 -0.043764763084325 -0.055766784006669
17 0.002369020301327 -0.004642125030605 0.012993977992600 -0.014855933304739 0.001831021199239
18 0.002739286468846 -0.003749450513854 -0.002053250667189 -0.030454527155605 -0.044646486204569
19 0.004725918013031 0.003521842200534 0.021035087924605 0.024293517668719 0.007146933239277
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
14 -0.081665322152906 -0.131779041556866 0.150252456972368 0.047933733189697 -0.118925632445984
15 0.028617639240644 0.119389267945024 0.011589643016846 0.096450620949663 -0.165877584732191
16 0.042974415877798 -0.070457060670425 -0.027298986709022 0.035627143469374 0.014782800901303
17 -0.035470997057348 -0.034160799320848 0.066996933769948 0.000220510292463 -0.087140955671859
18 0.036656114544356 -0.026795958357809 -0.045212057421135 -0.035485848663877 0.066970479795642
19 0.007588453991916 0.018564809820622 -0.055081840544776 -0.001833679912995 0.041014835973515
10 11 12 13 14
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076 -0.023541042081838
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866 0.004269532698803
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425 -0.159197978322654
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910 0.065638376893129
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694 -0.214209983436479
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136 -0.087109716728754
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197 -0.134612380727846
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370 0.150862250185222
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115 0.047028063278221
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582 -0.120222074872808
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798 0.090441942405031
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295 0.098630922723021
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700 0.724808298449917
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562 0.102173202272015
14 0.088877001204169 0.097739981704753 0.725732574539524 0.100432683668935 2.046145692401481
15 -0.055382424885420 -0.050764317501665 0.116178977713729 0.802060502371935 0.070174207768335
16 0.148492667240255 -0.051533992141590 0.008367775461008 -0.100630906858761 1.057721014364300
17 0.023505709026209 -0.015575517586168 0.008796304544050 -0.175382066588384 0.001386795856186
18 -0.027737482927841 0.053928371526155 0.021727015803361 0.047819781111869 -0.168615132119933
19 -0.017962611077665 -0.082470048083222 0.039071994170541 -0.255851075668309 -0.011873443274232
15 16 17 18 19
0 0.004516538212091 -0.001288696714738 0.002504385690790 0.002072933395190 0.004899596828898
1 -0.003499098068609 -0.005510674618116 -0.004198740514689 -0.003225937473922 0.002933296522007
2 0.045317445468814 -0.016659362205430 0.012997128479095 -0.003334902974664 0.020160780170934
3 -0.034480672858640 -0.045246104038446 -0.014206644542376 -0.030223932425139 0.023027369900656
4 0.095448245940556 -0.053851542898086 0.003036560738553 -0.042742030153804 0.009310147283338
5 0.026537654675008 0.043757676869151 -0.035022956652917 0.038282391412731 0.008403956294627
6 0.121400164768807 -0.069114688735713 -0.033127075610544 -0.028982411411220 0.017230958975378
7 0.008738051605721 -0.029309272806036 0.065576166023657 -0.043891659721666 -0.056188491438184
8 0.096717408703534 0.035581714869748 0.003035282085071 -0.035667783558220 -0.002063552935076
9 -0.166877869953227 0.016757794475940 -0.087417702928683 0.068858115777311 0.043009339327201
10 -0.053724428776963 0.149035014001109 0.022486037355268 -0.028748277666252 -0.018571080844773
11 -0.052976606851157 -0.050467374816760 -0.016629364535017 0.052371157758931 -0.085240011026941
12 0.116980543919595 0.011551380965373 0.008970136969654 0.022070578226269 0.038353364870970
13 0.799771544768237 -0.102883709018943 -0.177945769410939 0.050544233979561 -0.256598811474298
14 0.070283097917715 1.058724889241807 0.000934975795108 -0.166710791717800 -0.012193515419061
15 1.763884445557538 -0.146553756656498 -0.905530628000632 0.047532270053023 -0.099984767331193
16 -0.146787614026071 2.366444534724314 0.018036855957281 -1.112811028865440 0.123007371533427
17 -0.902425784965085 0.017245378041845 2.236153204800656 -0.110666142271286 -0.836473398795201
18 0.047638732624376 -1.111374878462305 -0.111535700703045 2.438947397196357 -0.084730668530455
19 -0.097164586747053 0.125069558998425 -0.839234840935674 -0.086407971349089 2.222299536935668
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000499940820
Norm of residual vector 0 after precondition 0.0000499940820
1 0.2103100927 1.81e-08 5.00e-05 N
Norm of residual vector af preconditioning 0.0000151888982
Norm of residual vector 1 before precondition 0.0013071555501
Norm of residual vector 1 after precondition 0.0013071555501
2 0.4095492941 -3.35e-06 1.31e-03 N
Norm of residual vector af preconditioning 0.0005628358473
Iter=11 L=22 resetting norm
SigmaSS, D(norm sigma)= 0.6796111633
FSD , D(norm sigma)= 0.0000192020
WamefSD, D(norm sigma)= 0.0241361125
WmnieSD, D(norm sigma)= 0.0296163055
WmaijDS, D(norm sigma)= 0.0055980968
WabejDS, D(norm sigma)= 0.0029578771
WnmjeDS, D(norm sigma)= 0.0000670728
WbmfeDS, D(norm sigma)= -0.0000442710
Fbe_FDD , D(norm sigma)= 1.3051198348
Fmj_DD, D(norm sigma)= 1.9820458606
WmnijDD, D(norm sigma)= 0.5769423280
WabefDD, D(norm sigma)= 0.3884500423
WmbejDD, D(norm sigma)= -1.1265484088
WmnefDD XAF, D(norm sigma)= 0.0010017308
WmnefDD XLI, D(norm sigma)= 0.0002826077
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7521827956
FSD , D(norm sigma)= -0.0001727827
WamefSD, D(norm sigma)= 0.0016671901
WmnieSD, D(norm sigma)= 0.0300263904
WmaijDS, D(norm sigma)= 0.0101667370
WabejDS, D(norm sigma)= 0.0037372062
WnmjeDS, D(norm sigma)= 0.0000555723
WbmfeDS, D(norm sigma)= 0.0000510721
Fbe_FDD , D(norm sigma)= 0.8548559140
Fmj_DD, D(norm sigma)= 1.9703032786
WmnijDD, D(norm sigma)= 0.5463326034
WabefDD, D(norm sigma)= 0.2803111230
WmbejDD, D(norm sigma)= -0.9588704504
WmnefDD XAF, D(norm sigma)= 0.0009808171
WmnefDD XLI, D(norm sigma)= 0.0000780563
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
14 -0.021910418333404 0.003621203845380 -0.156097644844570 0.063482848176943 -0.214378046181992
15 0.004518877235517 -0.003121818464747 0.044727983611610 -0.034976109997762 0.093969901928196
16 -0.001642497340345 -0.004559450940660 -0.018106882622730 -0.043764763084325 -0.055766784006669
17 0.002369020301327 -0.004642125030605 0.012993977992600 -0.014855933304739 0.001831021199239
18 0.002739286468846 -0.003749450513854 -0.002053250667189 -0.030454527155605 -0.044646486204569
19 0.004725918013031 0.003521842200534 0.021035087924605 0.024293517668719 0.007146933239277
20 -0.005519968056906 -0.004309754037080 -0.024440954803980 -0.027355572749432 -0.000720765490867
21 0.003003242327169 0.000697080897725 0.015522044538438 0.017786249418827 0.010870607182852
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
14 -0.081665322152906 -0.131779041556866 0.150252456972368 0.047933733189697 -0.118925632445984
15 0.028617639240644 0.119389267945024 0.011589643016846 0.096450620949663 -0.165877584732191
16 0.042974415877798 -0.070457060670425 -0.027298986709022 0.035627143469374 0.014782800901303
17 -0.035470997057348 -0.034160799320848 0.066996933769948 0.000220510292463 -0.087140955671859
18 0.036656114544356 -0.026795958357809 -0.045212057421135 -0.035485848663877 0.066970479795642
19 0.007588453991916 0.018564809820622 -0.055081840544776 -0.001833679912995 0.041014835973515
20 0.008027742714455 -0.030695673452162 -0.002208306914154 -0.125430770056300 -0.001372783723009
21 -0.037484579545181 0.000592055614991 0.044539079803435 0.018972323036161 0.001526466563991
10 11 12 13 14
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076 -0.023541042081838
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866 0.004269532698803
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425 -0.159197978322654
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910 0.065638376893129
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694 -0.214209983436479
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136 -0.087109716728754
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197 -0.134612380727846
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370 0.150862250185222
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115 0.047028063278221
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582 -0.120222074872808
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798 0.090441942405031
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295 0.098630922723021
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700 0.724808298449917
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562 0.102173202272015
14 0.088877001204169 0.097739981704753 0.725732574539524 0.100432683668935 2.046145692401481
15 -0.055382424885420 -0.050764317501665 0.116178977713729 0.802060502371935 0.070174207768335
16 0.148492667240255 -0.051533992141590 0.008367775461008 -0.100630906858761 1.057721014364300
17 0.023505709026209 -0.015575517586168 0.008796304544050 -0.175382066588384 0.001386795856186
18 -0.027737482927841 0.053928371526155 0.021727015803361 0.047819781111869 -0.168615132119933
19 -0.017962611077665 -0.082470048083222 0.039071994170541 -0.255851075668309 -0.011873443274232
20 -0.172601303885226 -0.033472004997996 0.113518441448416 -0.073796538345038 -0.060391636583514
21 0.050060649237094 0.119370259150743 0.006879137888577 0.148026528226751 0.032646155563727
15 16 17 18 19
0 0.004516538212091 -0.001288696714738 0.002504385690790 0.002072933395190 0.004899596828898
1 -0.003499098068609 -0.005510674618116 -0.004198740514689 -0.003225937473922 0.002933296522007
2 0.045317445468814 -0.016659362205430 0.012997128479095 -0.003334902974664 0.020160780170934
3 -0.034480672858640 -0.045246104038446 -0.014206644542376 -0.030223932425139 0.023027369900656
4 0.095448245940556 -0.053851542898086 0.003036560738553 -0.042742030153804 0.009310147283338
5 0.026537654675008 0.043757676869151 -0.035022956652917 0.038282391412731 0.008403956294627
6 0.121400164768807 -0.069114688735713 -0.033127075610544 -0.028982411411220 0.017230958975378
7 0.008738051605721 -0.029309272806036 0.065576166023657 -0.043891659721666 -0.056188491438184
8 0.096717408703534 0.035581714869748 0.003035282085071 -0.035667783558220 -0.002063552935076
9 -0.166877869953227 0.016757794475940 -0.087417702928683 0.068858115777311 0.043009339327201
10 -0.053724428776963 0.149035014001109 0.022486037355268 -0.028748277666252 -0.018571080844773
11 -0.052976606851157 -0.050467374816760 -0.016629364535017 0.052371157758931 -0.085240011026941
12 0.116980543919595 0.011551380965373 0.008970136969654 0.022070578226269 0.038353364870970
13 0.799771544768237 -0.102883709018943 -0.177945769410939 0.050544233979561 -0.256598811474298
14 0.070283097917715 1.058724889241807 0.000934975795108 -0.166710791717800 -0.012193515419061
15 1.763884445557538 -0.146553756656498 -0.905530628000632 0.047532270053023 -0.099984767331193
16 -0.146787614026071 2.366444534724314 0.018036855957281 -1.112811028865440 0.123007371533427
17 -0.902425784965085 0.017245378041845 2.236153204800656 -0.110666142271286 -0.836473398795201
18 0.047638732624376 -1.111374878462305 -0.111535700703045 2.438947397196357 -0.084730668530455
19 -0.097164586747053 0.125069558998425 -0.839234840935674 -0.086407971349089 2.222299536935668
20 -0.039018463013326 0.018016980055391 0.081271798435362 -0.972773578882677 -0.123116548697042
21 0.006854855272565 0.081930505735644 -0.092625773120441 -0.179028355898707 0.787092144742835
20 21
0 -0.005159112011560 0.003012717945237
1 -0.003834821992521 0.004006700891356
2 -0.023693922212767 0.015401928788463
3 -0.026914618514867 0.019507077724918
4 -0.004075559439968 0.011242115461600
5 0.008573014493361 -0.035582335227687
6 -0.029989972070481 0.000938922074224
7 -0.001142648547470 0.047901667863159
8 -0.126095415207099 0.021325054907980
9 -0.002355110473565 0.003046110182734
10 -0.174099703714550 0.050476398822772
11 -0.031436548401321 0.119525436001950
12 0.111716636264208 0.003506150031573
13 -0.075007228148217 0.151000356947111
14 -0.061832680824774 0.034350983933282
15 -0.038338825045284 0.007575281378606
16 0.019425008042852 0.081285231364616
17 0.081504349273738 -0.093455649166552
18 -0.974030138068756 -0.179987316917779
19 -0.123099730625009 0.785850501573396
20 2.536858918293674 0.282113848521805
21 0.280596236631568 2.179582689256080
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000166488575
Norm of residual vector 0 after precondition 0.0000166488575
1 0.2103100905 -2.23e-09 1.66e-05 N
Norm of residual vector af preconditioning 0.0000049466914
Norm of residual vector 1 before precondition 0.0008375102261
Norm of residual vector 1 after precondition 0.0008375102261
2 0.4095462932 -3.00e-06 8.38e-04 N
Norm of residual vector af preconditioning 0.0002802610391
Iter=12 L=24 resetting norm
SigmaSS, D(norm sigma)= 0.7764735711
FSD , D(norm sigma)= -0.0000382817
WamefSD, D(norm sigma)= 0.0216967162
WmnieSD, D(norm sigma)= 0.0365885603
WmaijDS, D(norm sigma)= 0.0050395378
WabejDS, D(norm sigma)= 0.0020148977
WnmjeDS, D(norm sigma)= 0.0000117296
WbmfeDS, D(norm sigma)= 0.0000307089
Fbe_FDD , D(norm sigma)= 1.3510927234
Fmj_DD, D(norm sigma)= 2.1292833192
WmnijDD, D(norm sigma)= 0.5990951209
WabefDD, D(norm sigma)= 0.4105195180
WmbejDD, D(norm sigma)= -1.1022836771
WmnefDD XAF, D(norm sigma)= 0.0007235418
WmnefDD XLI, D(norm sigma)= 0.0004107335
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6535441871
FSD , D(norm sigma)= -0.0001250043
WamefSD, D(norm sigma)= 0.0060102145
WmnieSD, D(norm sigma)= 0.0205147191
WmaijDS, D(norm sigma)= 0.0071770204
WabejDS, D(norm sigma)= 0.0028873411
WnmjeDS, D(norm sigma)= 0.0000201807
WbmfeDS, D(norm sigma)= -0.0000461938
Fbe_FDD , D(norm sigma)= 1.1415028133
Fmj_DD, D(norm sigma)= 2.5321964052
WmnijDD, D(norm sigma)= 0.6304921187
WabefDD, D(norm sigma)= 0.2878435870
WmbejDD, D(norm sigma)= -1.0089953176
WmnefDD XAF, D(norm sigma)= 0.0010508214
WmnefDD XLI, D(norm sigma)= 0.0001335644
resetting norm
The G Matrix
0 1 2 3 4
0 0.299991297029906 0.000324613212779 0.395209413157772 0.000580017062823 0.041806024700208
1 -0.000000000000000 0.460790429154756 0.021666547272392 0.266192241981807 0.002886444172747
2 0.368844487246388 0.019283757731122 1.959688183380264 0.001723148994934 0.534677130295069
3 -0.001030200134066 0.248888778251341 0.002860325914081 1.877840084129892 -0.010795014465189
4 0.039244695626146 0.003243954887890 0.546716438856149 -0.011693181338616 1.479057329643555
5 -0.008626769177527 -0.026034008099344 -0.078046026806986 -0.415970130072152 -0.151895882825746
6 -0.004959804926451 -0.003349468933696 0.033460024013501 -0.021671209315644 0.601650993324939
7 0.000744781452318 -0.005072275870351 0.017568639586153 0.053860277242453 0.067193238849061
8 -0.011087449041586 0.006284850898737 -0.074587755120666 0.066710951512447 0.010252296445532
9 -0.001445980346532 0.014254428847280 -0.019223370185712 0.125312410043718 -0.033001568907824
10 -0.020839226468320 -0.007012876893940 -0.154566454287664 -0.045219136388387 -0.253806986708273
11 -0.002771902608137 0.005295793155206 -0.028917724735958 0.070124210582149 -0.091790236457180
12 0.008443140021166 -0.000554590535800 0.045916740972245 -0.008869108208268 0.066206644678919
13 -0.004720262987587 -0.008253082677240 -0.023241330643960 -0.047894209043669 -0.008998714331415
14 -0.021910418333404 0.003621203845380 -0.156097644844570 0.063482848176943 -0.214378046181992
15 0.004518877235517 -0.003121818464747 0.044727983611610 -0.034976109997762 0.093969901928196
16 -0.001642497340345 -0.004559450940660 -0.018106882622730 -0.043764763084325 -0.055766784006669
17 0.002369020301327 -0.004642125030605 0.012993977992600 -0.014855933304739 0.001831021199239
18 0.002739286468846 -0.003749450513854 -0.002053250667189 -0.030454527155605 -0.044646486204569
19 0.004725918013031 0.003521842200534 0.021035087924605 0.024293517668719 0.007146933239277
20 -0.005519968056906 -0.004309754037080 -0.024440954803980 -0.027355572749432 -0.000720765490867
21 0.003003242327169 0.000697080897725 0.015522044538438 0.017786249418827 0.010870607182852
22 0.003166832504371 0.004837019813493 0.008236021100334 0.039726538233044 -0.011933628489900
23 -0.000632129655644 0.001984046690380 -0.016095063942412 0.008207641057205 -0.065518868727425
5 6 7 8 9
0 -0.008995669453583 -0.001100793848200 0.000671239541411 -0.011668226384416 -0.002730065843116
1 -0.028847172085609 -0.004272642252468 -0.004105173078503 0.007640636770869 0.017125705812169
2 -0.077978565025346 0.032399228755864 0.016531312564553 -0.075064461464441 -0.017883818080243
3 -0.407564020310657 -0.022310803431775 0.047923418654919 0.067393020431747 0.125210420743423
4 -0.152445806729452 0.610573570409336 0.065452350612368 0.013912996924580 -0.032697802072687
5 1.158955002383301 -0.031762192315944 -0.605240453391078 -0.056343838603818 0.031774840144559
6 -0.035679239055316 2.026088281816348 -0.009927878925635 0.876217012290044 0.020710864655352
7 -0.601521696778923 -0.009978240988578 1.523223378490449 0.083511177470559 -0.691867947678021
8 -0.054597781618898 0.876945936766008 0.082347312852584 1.698624504794808 -0.066354503461242
9 0.026332744630898 0.021443019668021 -0.689974620026557 -0.067622697577794 1.878639860362195
10 0.050019696434507 -0.100874309370553 -0.016544659027555 0.795753576826638 0.036642629937411
11 -0.153860450555632 -0.172810975634646 0.135034418457843 -0.072156131698408 0.495809720469809
12 -0.035805100626837 0.180914802912289 0.075260022628760 0.007027399986511 -0.014702698026317
13 -0.015581753263446 -0.031221195296526 0.045006174410528 -0.059800522529415 0.172440937648941
14 -0.081665322152906 -0.131779041556866 0.150252456972368 0.047933733189697 -0.118925632445984
15 0.028617639240644 0.119389267945024 0.011589643016846 0.096450620949663 -0.165877584732191
16 0.042974415877798 -0.070457060670425 -0.027298986709022 0.035627143469374 0.014782800901303
17 -0.035470997057348 -0.034160799320848 0.066996933769948 0.000220510292463 -0.087140955671859
18 0.036656114544356 -0.026795958357809 -0.045212057421135 -0.035485848663877 0.066970479795642
19 0.007588453991916 0.018564809820622 -0.055081840544776 -0.001833679912995 0.041014835973515
20 0.008027742714455 -0.030695673452162 -0.002208306914154 -0.125430770056300 -0.001372783723009
21 -0.037484579545181 0.000592055614991 0.044539079803435 0.018972323036161 0.001526466563991
22 -0.064122081723241 0.010729069870528 0.106211005615210 0.045885421513892 -0.069872094698325
23 0.019554886268046 -0.105535968994070 -0.015648087334681 -0.079333805168893 -0.017618306282189
10 11 12 13 14
0 -0.025208915088032 -0.002475327616813 0.009105265642361 -0.005473530756076 -0.023541042081838
1 -0.006637266948787 0.006622061755279 0.000272169190969 -0.009478479006866 0.004269532698803
2 -0.154895728350468 -0.029290867198196 0.044096939802430 -0.024115937509425 -0.159197978322654
3 -0.046365904295888 0.068621874222614 -0.009654480733156 -0.049565595225910 0.065638376893129
4 -0.257246843170080 -0.094593311797089 0.068299174473933 -0.009995821713694 -0.214209983436479
5 0.050711803670268 -0.156195032097203 -0.034484273646489 -0.015065466074136 -0.087109716728754
6 -0.102858448254541 -0.174630377621567 0.179573075391627 -0.029315383424197 -0.134612380727846
7 -0.015314484481302 0.138634919414327 0.077625205375107 0.041865866272370 0.150862250185222
8 0.793575052157469 -0.073950650392286 0.007352634931544 -0.060811389347115 0.047028063278221
9 0.037526928298500 0.488994957626798 -0.013793496288901 0.172020821803582 -0.120222074872808
10 1.958061166011804 -0.081719477600688 -0.875584057631263 0.011364966627798 0.090441942405031
11 -0.081985221941999 1.457584648130984 0.070757964539904 0.838730491853295 0.098630922723021
12 -0.876192689951919 0.074223830523664 2.218435273906260 -0.196180348623700 0.724808298449917
13 0.010058982208650 0.834419706033699 -0.197898106325564 2.177380719058562 0.102173202272015
14 0.088877001204169 0.097739981704753 0.725732574539524 0.100432683668935 2.046145692401481
15 -0.055382424885420 -0.050764317501665 0.116178977713729 0.802060502371935 0.070174207768335
16 0.148492667240255 -0.051533992141590 0.008367775461008 -0.100630906858761 1.057721014364300
17 0.023505709026209 -0.015575517586168 0.008796304544050 -0.175382066588384 0.001386795856186
18 -0.027737482927841 0.053928371526155 0.021727015803361 0.047819781111869 -0.168615132119933
19 -0.017962611077665 -0.082470048083222 0.039071994170541 -0.255851075668309 -0.011873443274232
20 -0.172601303885226 -0.033472004997996 0.113518441448416 -0.073796538345038 -0.060391636583514
21 0.050060649237094 0.119370259150743 0.006879137888577 0.148026528226751 0.032646155563727
22 0.084394390192625 0.040035229732105 -0.124154065025485 0.079003931634045 -0.023732500678760
23 -0.074192886531148 -0.024204151821034 0.027441430836401 -0.051201310251161 0.039452725202722
15 16 17 18 19
0 0.004516538212091 -0.001288696714738 0.002504385690790 0.002072933395190 0.004899596828898
1 -0.003499098068609 -0.005510674618116 -0.004198740514689 -0.003225937473922 0.002933296522007
2 0.045317445468814 -0.016659362205430 0.012997128479095 -0.003334902974664 0.020160780170934
3 -0.034480672858640 -0.045246104038446 -0.014206644542376 -0.030223932425139 0.023027369900656
4 0.095448245940556 -0.053851542898086 0.003036560738553 -0.042742030153804 0.009310147283338
5 0.026537654675008 0.043757676869151 -0.035022956652917 0.038282391412731 0.008403956294627
6 0.121400164768807 -0.069114688735713 -0.033127075610544 -0.028982411411220 0.017230958975378
7 0.008738051605721 -0.029309272806036 0.065576166023657 -0.043891659721666 -0.056188491438184
8 0.096717408703534 0.035581714869748 0.003035282085071 -0.035667783558220 -0.002063552935076
9 -0.166877869953227 0.016757794475940 -0.087417702928683 0.068858115777311 0.043009339327201
10 -0.053724428776963 0.149035014001109 0.022486037355268 -0.028748277666252 -0.018571080844773
11 -0.052976606851157 -0.050467374816760 -0.016629364535017 0.052371157758931 -0.085240011026941
12 0.116980543919595 0.011551380965373 0.008970136969654 0.022070578226269 0.038353364870970
13 0.799771544768237 -0.102883709018943 -0.177945769410939 0.050544233979561 -0.256598811474298
14 0.070283097917715 1.058724889241807 0.000934975795108 -0.166710791717800 -0.012193515419061
15 1.763884445557538 -0.146553756656498 -0.905530628000632 0.047532270053023 -0.099984767331193
16 -0.146787614026071 2.366444534724314 0.018036855957281 -1.112811028865440 0.123007371533427
17 -0.902425784965085 0.017245378041845 2.236153204800656 -0.110666142271286 -0.836473398795201
18 0.047638732624376 -1.111374878462305 -0.111535700703045 2.438947397196357 -0.084730668530455
19 -0.097164586747053 0.125069558998425 -0.839234840935674 -0.086407971349089 2.222299536935668
20 -0.039018463013326 0.018016980055391 0.081271798435362 -0.972773578882677 -0.123116548697042
21 0.006854855272565 0.081930505735644 -0.092625773120441 -0.179028355898707 0.787092144742835
22 0.008045111610820 0.062895937342350 -0.000537292780742 0.097967114792560 0.043798319417555
23 -0.060850924832467 -0.001066444647848 0.160499773126938 -0.014138957061764 0.120153981059943
20 21 22 23
0 -0.005159112011560 0.003012717945237 0.004212922153099 0.000097381706866
1 -0.003834821992521 0.004006700891356 0.004385197899873 0.000370040004751
2 -0.023693922212767 0.015401928788463 0.008986742181840 -0.016276024890283
3 -0.026914618514867 0.019507077724918 0.040219669123377 0.006800458364359
4 -0.004075559439968 0.011242115461600 -0.012947021811615 -0.064592111361239
5 0.008573014493361 -0.035582335227687 -0.064738395743537 0.021101680799489
6 -0.029989972070481 0.000938922074224 0.011115299080919 -0.106723604771809
7 -0.001142648547470 0.047901667863159 0.108559108062512 -0.014684983133640
8 -0.126095415207099 0.021325054907980 0.045716216395050 -0.079258774731855
9 -0.002355110473565 0.003046110182734 -0.071374629098650 -0.017378854661286
10 -0.174099703714550 0.050476398822772 0.083697552669416 -0.076201300464366
11 -0.031436548401321 0.119525436001950 0.039578227097595 -0.027476577577714
12 0.111716636264208 0.003506150031573 -0.125328319245938 0.028223309976473
13 -0.075007228148217 0.151000356947111 0.078548948968031 -0.051785540784227
14 -0.061832680824774 0.034350983933282 -0.023271901218986 0.040988352948926
15 -0.038338825045284 0.007575281378606 0.007381134704087 -0.063689233872236
16 0.019425008042852 0.081285231364616 0.062570120638769 -0.001469701518002
17 0.081504349273738 -0.093455649166552 -0.000777264823465 0.158438356118561
18 -0.974030138068756 -0.179987316917779 0.098320270364486 -0.012600999422322
19 -0.123099730625009 0.785850501573396 0.043957979037071 0.119679268149939
20 2.536858918293674 0.282113848521805 -1.198984220527002 0.064212662403840
21 0.280596236631568 2.179582689256080 -0.021649119771043 0.845133648867838
22 -1.198840142551196 -0.022145666279056 2.779474110807338 -0.137775981343010
23 0.065307858332466 0.841135836332490 -0.139129431752573 2.561905945036304
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000050490278
Norm of residual vector 0 after precondition 0.0000050490278
1 0.2103100858 -4.71e-09 5.05e-06 N
Norm of residual vector af preconditioning 0.0000015839687
Norm of residual vector 1 before precondition 0.0003878078486
Norm of residual vector 1 after precondition 0.0003878078486
2 0.4095442382 -2.05e-06 3.88e-04 N
Norm of residual vector af preconditioning 0.0001187395295
alpha
1 2 3 4 5 6 7 8 9 10
1 -0.9695128 -0.0185854 0.0414975 -0.0118666 0.0101954 0.0490272 0.0648722 0.1020941 0.0385227 0.0636272
2 -0.0202855 0.9589709 -0.1280414 -0.0276808 0.2004549 -0.0128570 -0.0751032 0.0019182 0.0369108 0.0434150
3 0.2284325 -0.0071508 0.0144426 -0.0130664 0.0161846 0.0777622 0.1063730 0.1921239 0.1000968 0.1531365
4 0.0022533 -0.1996476 0.0395165 -0.0283743 0.1098896 -0.0239790 -0.1306817 -0.0124607 0.0988074 0.1354799
5 -0.0803989 -0.0228015 -0.1535353 0.0478447 -0.0211495 -0.1523967 -0.3749532 -0.5681345 -0.0491830 -0.3418891
6 -0.0016331 -0.1578305 -0.1952507 0.0566378 0.5768997 0.0209215 -0.3978230 0.0195470 0.2381603 0.2329938
7 0.0268762 0.0140571 0.3274964 -0.0681990 0.1219393 0.2961792 0.1496031 0.2214510 0.2340541 -0.0246459
8 0.0017685 -0.1013464 -0.1916223 -0.0778130 0.5867517 -0.0318634 0.0233945 0.1138190 -0.0781705 -0.0584703
9 -0.0145372 -0.0123265 -0.4834796 0.1580854 -0.1963618 -0.3268680 -0.0550406 0.1001606 -0.0475097 0.2327820
10 -0.0001702 -0.0471821 -0.2053426 -0.0371877 0.3156049 -0.0134955 0.2590481 0.0123865 -0.2193767 -0.2749229
11 0.0062195 0.0095876 0.4184409 -0.2150654 0.1198348 0.0886303 -0.1212548 -0.3396191 -0.0644341 -0.1083358
12 0.0000142 0.0352394 0.2817455 0.4604268 -0.0340000 0.0416568 -0.4457807 0.0920252 0.1568870 0.1601746
13 0.0020326 0.0016508 0.2305656 -0.2892798 0.0207610 -0.1322803 -0.1364195 -0.1771531 -0.2313396 0.1586561
14 0.0001327 -0.0164249 -0.1388720 -0.4459653 -0.0941674 -0.0840875 0.1875841 -0.1627348 0.1338446 0.2191916
15 -0.0007488 -0.0036832 -0.2402245 0.1954930 -0.0250493 0.3920530 0.1314617 -0.1542366 0.3115385 -0.2771057
16 0.0000198 0.0127874 0.1991330 0.5011897 0.2262724 -0.1284792 0.2144143 -0.0320763 -0.3023651 -0.0926718
17 0.0002612 0.0035467 0.1942857 -0.1015136 0.0275776 -0.4879717 -0.0630420 0.2725021 -0.0539408 -0.0190779
18 0.0000155 0.0056134 0.1089522 0.2957230 0.1635421 -0.1483015 0.3211505 -0.1912337 -0.1248397 0.1254782
19 0.0000878 0.0022170 0.1137675 -0.0320033 0.0236219 -0.4108289 0.0221453 0.1773217 0.2430241 -0.2941619
20 0.0000064 0.0025428 0.0649335 0.1572991 0.1013134 -0.1504886 0.3095389 -0.3249955 0.1738413 0.2959707
21 0.0000276 0.0012705 0.0626483 0.0042081 0.0176889 -0.2906378 0.0738543 0.0066834 0.4523779 -0.3209209
22 -0.0000027 -0.0011421 -0.0515900 -0.0402883 -0.0384610 0.1183107 -0.1684398 0.2960298 -0.3202290 -0.3026542
23 0.0000072 0.0004151 0.0194040 0.0042481 0.0044818 -0.1233837 0.0331803 -0.0186751 0.2741841 -0.2271071
24 0.0000004 0.0003046 0.0224790 -0.0116026 0.0046682 -0.0422411 0.0319456 -0.1214623 0.1677284 0.1220638
11 12 13 14 15 16 17 18 19 20
1 -0.0170832 -0.1071644 -0.0194044 0.1408938 0.0211104 0.0132109 -0.0920623 0.0147603 0.0312472 -0.0219127
2 0.0840279 -0.0199157 0.1005913 0.0235919 -0.1076546 0.0091802 -0.0121990 0.0107271 0.0017680 -0.0065990
3 -0.0535642 -0.3752040 -0.0835125 0.6350579 0.1007628 0.0700883 -0.4645077 0.0902000 0.1877246 -0.1064387
4 0.3465953 -0.0442911 0.5388522 0.0891886 -0.6722010 0.0259962 -0.0467671 0.0863634 0.0003509 -0.0386552
5 0.0609138 0.2732946 -0.0239672 0.1646482 0.0681091 0.1214975 -0.2941218 0.1714881 0.3271159 -0.0599089
6 0.2825608 -0.1226265 0.0014320 -0.0627238 0.4060129 0.1587967 0.0822454 -0.1896780 -0.0494859 0.0581387
7 0.0576860 0.2735393 0.0058772 -0.1940920 0.0511211 0.3056040 0.0937664 0.3089458 0.5638672 0.0828916
8 -0.3290847 0.1469256 -0.2301263 -0.0006133 -0.2378667 -0.4897955 -0.0258584 0.2596626 0.0842629 -0.0907479
9 -0.1183370 -0.2455765 -0.0373864 -0.0147933 -0.0738454 0.1231227 0.3123918 0.2729478 0.3634835 0.2518019
10 -0.2972355 -0.0359287 0.0602671 0.0228115 -0.1759222 0.6786409 -0.0384667 -0.1094845 -0.2022355 0.1209448
11 -0.0881379 -0.2931438 -0.0800480 0.2453330 -0.0423339 -0.0615235 0.2230764 0.0645251 -0.0186681 0.4494127
12 -0.2681331 0.0524439 -0.2937244 -0.0275470 -0.2340989 0.1914094 -0.0643655 0.2050287 -0.3020282 0.0985642
13 -0.0943868 -0.3720232 -0.0682674 -0.1427984 -0.0145070 0.1522013 0.2626098 0.0288297 0.1543205 -0.4685152
14 0.2265371 0.0882369 -0.1501340 -0.0297910 0.0727080 0.0164370 -0.0940422 0.3746519 -0.3212354 0.3403808
15 0.1053857 -0.0620040 -0.0613470 0.2624606 -0.0173189 0.0029824 0.3532024 0.0395656 -0.0888345 -0.1343912
16 0.1031842 -0.1312633 0.3148968 0.0077691 0.2336576 -0.2038726 0.0400763 0.0777646 0.0722427 0.2439293
17 0.0478935 0.3086421 0.0446619 0.2039681 0.1150947 0.1150320 -0.0798659 -0.0791199 -0.0348052 0.0622302
18 0.3312548 -0.0270236 -0.2156423 -0.0453216 0.0135160 0.1284405 -0.0378707 0.3606010 -0.1820320 -0.2064222
19 0.1373568 0.0811033 -0.1311070 0.2972228 -0.0282622 0.0031359 0.3931635 -0.0244493 -0.0626421 -0.2029079
20 0.0489827 0.0961617 -0.3137506 -0.0175622 -0.2152907 0.0299385 -0.0403532 -0.3382017 0.1947033 -0.0923659
21 -0.0399893 -0.2961771 -0.0223161 -0.1949974 -0.0690122 -0.0900698 -0.0618244 0.0155036 0.0291613 0.1891783
22 0.3960492 -0.1569566 -0.2561325 -0.0788247 -0.0427540 0.0236023 -0.0328462 0.2384542 -0.0544403 -0.1208112
23 -0.0626958 -0.3252555 0.0828634 -0.4039583 0.0600697 0.0138429 -0.3583305 0.0697044 -0.0315672 -0.1607892
24 -0.3388253 0.1083285 0.4167386 0.0893659 0.2703924 0.0155269 0.1273878 0.4013577 -0.2087634 -0.2991792
21 22 23 24
1 -0.0101889 -0.0079901 -0.0120191 0.0032355
2 -0.0008995 -0.0019842 0.0031762 0.0007882
3 -0.0599897 -0.0432009 -0.0708245 0.0174086
4 -0.0089894 -0.0058401 0.0308281 0.0040432
5 -0.0800632 -0.0399697 -0.0759320 0.0193615
6 0.0543456 -0.0099618 -0.0354326 -0.0017307
7 -0.0364433 -0.0057219 -0.0038631 0.0404049
8 -0.0667085 0.0467388 0.0695437 -0.0058346
9 0.1259655 0.0738531 0.1273361 0.0488658
10 -0.0129203 -0.0880815 -0.0495892 0.0219110
11 0.3524022 0.1284795 0.1722090 0.0712521
12 -0.1872940 -0.1139730 0.0260276 0.0348755
13 -0.4255376 -0.0536267 0.0297355 -0.1423667
14 -0.3438437 -0.2462217 0.0604442 0.1022336
15 -0.2687809 0.1001873 0.4008019 -0.2211703
16 -0.3324247 -0.3093399 0.0711454 0.0819041
17 -0.0551545 0.2006253 0.5105949 -0.3717710
18 0.1709724 0.4890885 -0.1721259 -0.0661782
19 -0.0083670 -0.1236311 -0.2009176 0.4994410
20 0.2270969 -0.4421719 0.2326903 -0.0652615
21 -0.0366454 -0.0560340 -0.3600570 -0.5312524
22 0.3159200 -0.4361047 0.1369853 -0.1838140
23 0.0639499 0.1109577 0.4788030 0.4071012
24 0.3668226 -0.2937366 0.0158918 -0.1551695
alpha_old
1 2 3 4 5 6 7 8 9 10
1 -0.9695128 -0.0186351 -0.0419009 -0.0120016 -0.0106868 -0.0515120 0.0641487 -0.1103449 -0.0306929 0.0695144
2 -0.0202855 0.9590953 0.1194461 -0.0269994 -0.2003850 0.0147105 -0.0756333 -0.0099251 -0.0617812 0.0270760
3 0.2284325 -0.0071597 -0.0150701 -0.0130381 -0.0167475 -0.0858843 0.1034529 -0.2149930 -0.0869070 0.1803212
4 0.0022533 -0.1997009 -0.0370025 -0.0281395 -0.1098856 0.0280273 -0.1323543 -0.0075061 -0.1995805 0.0767075
5 -0.0803992 -0.0226430 0.1580142 0.0491595 0.0232952 0.1490910 -0.3850350 0.5810559 0.0430152 -0.3854166
6 -0.0016331 -0.1575610 0.1984173 0.0593275 -0.5765381 -0.0236940 -0.4081348 -0.0750498 -0.3203191 0.1657568
7 0.0268763 0.0136354 -0.3307263 -0.0688015 -0.1249879 -0.3097527 0.1350545 -0.2603210 -0.1629782 -0.1640442
8 0.0017690 -0.1010784 0.1946695 -0.0744858 -0.5864394 0.0420805 0.0306318 -0.1066067 0.1589079 -0.0611139
9 -0.0145374 -0.0117105 0.4887248 0.1597305 0.2006776 0.3256829 -0.0426484 -0.1123925 -0.0040365 0.2756331
10 -0.0001702 -0.0469048 0.2074993 -0.0354127 -0.3150768 0.0086216 0.2665709 0.0415159 0.3663349 -0.1423926
11 0.0062192 0.0089779 -0.4176601 -0.2157341 -0.1217192 -0.0821767 -0.1298697 0.3543812 0.0676128 -0.0010726
12 0.0000141 0.0348551 -0.2846372 0.4596286 0.0337302 -0.0292160 -0.4524637 -0.1514301 -0.1138340 0.0925920
13 0.0020323 0.0012883 -0.2282393 -0.2902749 -0.0210629 0.1577224 -0.1236800 0.2117702 0.1458907 0.3497673
14 0.0001328 -0.0162821 0.1443774 -0.4443752 0.0951048 0.0704164 0.1805892 0.1331309 -0.3213052 0.0954447
15 -0.0007486 -0.0032808 0.2363916 0.1967597 0.0237166 -0.4463707 0.0941098 0.1172413 -0.1915149 -0.3449721
16 0.0000195 0.0124974 -0.2005952 0.5003517 -0.2254554 0.1522566 0.2345487 0.1018629 0.2754193 0.0447345
17 0.0002602 0.0031425 -0.1870506 -0.1034773 -0.0246377 0.5157944 -0.0337102 -0.2609988 0.0185574 -0.1588261
18 0.0000153 0.0054444 -0.1092686 0.2950642 -0.1625091 0.1617676 0.3329177 0.2318805 -0.1072209 0.1284370
19 0.0000856 0.0018620 -0.1035159 -0.0347046 -0.0198727 0.3858559 0.0261324 -0.1921449 -0.1719243 -0.4655800
20 0.0000058 0.0023508 -0.0583801 0.1593721 -0.0988487 0.1337847 0.2974517 0.2792510 -0.4179506 0.1371604
21 0.0000229 0.0008484 -0.0449623 0.0013241 -0.0126363 0.1942530 0.0454346 -0.0567251 -0.2407946 -0.3264816
22 -0.0000019 -0.0008573 0.0356392 -0.0469940 0.0343951 -0.0756140 -0.1360062 -0.1717103 0.3587785 -0.0905594
11 12 13 14 15 16 17 18 19 20
1 0.0230734 -0.1332950 -0.0212626 -0.1386308 -0.0141576 0.0087379 0.0238370 0.0062699 0.0370887 -0.0258352
2 -0.0946971 -0.0239424 0.1241725 -0.0106536 -0.0589161 0.0042421 -0.0004391 -0.0027232 0.0029953 -0.0038513
3 0.0850453 -0.5248746 -0.0966464 -0.6684981 -0.0703876 0.0475027 0.1505180 0.0263375 0.2088073 -0.1359087
4 -0.4272664 -0.0679928 0.7291448 -0.0188484 -0.3826150 -0.0061458 -0.0001514 -0.0292210 0.0006154 -0.0216405
5 -0.0295136 0.1263526 -0.0564867 -0.3283025 -0.0552733 0.1046337 0.2756791 -0.0647670 0.2756694 -0.1106015
6 -0.2424339 -0.0695425 -0.2619500 0.0644196 0.3365943 0.1943891 -0.0880061 0.0735830 -0.0176368 0.0653362
7 -0.0427690 0.2740144 -0.0507237 0.1477281 -0.0451699 0.2996266 0.4485691 -0.3160135 0.3420177 0.0662195
8 0.3696786 0.1350127 0.0030343 -0.0147879 -0.2708773 -0.5236319 0.1144384 -0.1544816 0.0212070 -0.0797358
9 0.1128056 -0.1943541 0.0052303 0.2483003 -0.1056210 0.1180335 0.3015352 -0.3529313 0.1101947 0.3350985
10 0.2097793 -0.0648256 0.1903037 0.0030659 -0.1132645 0.6761927 -0.0561885 0.1972425 -0.1504207 0.0330438
11 0.1252193 -0.3905275 -0.0172552 0.0410622 -0.0418790 -0.0603655 0.0479860 -0.1129675 -0.1677995 0.6143391
12 0.3816138 0.0843245 -0.0423965 0.0063877 -0.3438517 0.1551114 0.0944971 0.1265891 -0.3238401 -0.0989242
13 0.0825072 -0.2090828 -0.0530910 0.3029079 -0.0248881 0.1573632 -0.0552338 -0.2765582 0.1193889 -0.5790431
14 -0.1039620 0.1147396 -0.2045088 -0.0481759 -0.1504979 -0.0101311 0.3733995 0.1279910 -0.4884407 -0.0596030
15 -0.0227666 -0.2897320 -0.0513806 0.0719010 -0.0516038 0.0062419 -0.1450214 -0.4177107 -0.2836328 -0.1463251
16 -0.2791652 -0.1132254 0.0620183 0.0092514 0.3069794 -0.1767941 0.2952817 -0.0561974 -0.1330544 -0.0662316
17 -0.0678700 0.1705291 -0.0211497 -0.3069769 0.0827360 0.1218188 -0.0921741 -0.2405653 -0.1987636 0.1297662
18 -0.2331575 0.0367599 -0.3064799 0.0178405 -0.3487984 0.0823258 0.0622759 0.0149833 -0.0849200 -0.0731309
19 -0.0291492 -0.2481267 -0.1095752 0.1127438 -0.0906266 0.0045021 -0.2411657 -0.2086573 -0.0409007 -0.1128545
20 0.2058542 0.1241862 -0.0273187 -0.0207601 -0.1422861 0.0250804 -0.3797341 0.0370943 0.3549444 0.1727992
21 0.1384236 -0.3383574 0.0816072 0.3382129 0.0832688 -0.0803993 0.3073861 0.5118835 0.1730983 -0.0875045
22 -0.4087910 -0.1013874 -0.4068034 0.1210223 -0.4745266 -0.0338524 -0.1161406 0.1930665 0.1953633 0.1243835
21 22
1 -0.0026526 0.0058969
2 -0.0023561 -0.0003570
3 -0.0160731 0.0337605
4 -0.0129751 -0.0074002
5 -0.0287679 0.0371587
6 0.0072180 0.0168532
7 -0.0476975 0.0373409
8 0.0152944 -0.0409995
9 -0.0068962 0.0069471
10 -0.0724936 0.0524712
11 0.0615565 0.0159175
12 -0.1433997 0.0377071
13 -0.0965832 -0.1491961
14 -0.3337443 0.1086002
15 -0.1018461 -0.3535263
16 -0.4134465 0.0928889
17 -0.0377957 -0.5631935
18 0.6019150 -0.0657875
19 -0.0120330 0.5866003
20 -0.4453292 -0.0821906
21 0.0532352 -0.3591693
22 -0.3153811 -0.1432421
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 -0.9695128 -0.0185854 -0.9695128 -0.0186351 0.0414975 -0.0118666 0.0101954 0.0490272 0.0648722 0.1020941
2 -0.0202855 0.9589709 -0.0202855 0.9590953 -0.1280414 -0.0276808 0.2004549 -0.0128570 -0.0751032 0.0019182
3 0.2284325 -0.0071508 0.2284325 -0.0071597 0.0144426 -0.0130664 0.0161846 0.0777622 0.1063730 0.1921239
4 0.0022533 -0.1996476 0.0022533 -0.1997009 0.0395165 -0.0283743 0.1098896 -0.0239790 -0.1306817 -0.0124607
5 -0.0803989 -0.0228015 -0.0803992 -0.0226430 -0.1535353 0.0478447 -0.0211495 -0.1523967 -0.3749532 -0.5681345
6 -0.0016331 -0.1578305 -0.0016331 -0.1575610 -0.1952507 0.0566378 0.5768997 0.0209215 -0.3978230 0.0195470
7 0.0268762 0.0140571 0.0268763 0.0136354 0.3274964 -0.0681990 0.1219393 0.2961792 0.1496031 0.2214510
8 0.0017685 -0.1013464 0.0017690 -0.1010784 -0.1916223 -0.0778130 0.5867517 -0.0318634 0.0233945 0.1138190
9 -0.0145372 -0.0123265 -0.0145374 -0.0117105 -0.4834796 0.1580854 -0.1963618 -0.3268680 -0.0550406 0.1001606
10 -0.0001702 -0.0471821 -0.0001702 -0.0469048 -0.2053426 -0.0371877 0.3156049 -0.0134955 0.2590481 0.0123865
11 0.0062195 0.0095876 0.0062192 0.0089779 0.4184409 -0.2150654 0.1198348 0.0886303 -0.1212548 -0.3396191
12 0.0000142 0.0352394 0.0000141 0.0348551 0.2817455 0.4604268 -0.0340000 0.0416568 -0.4457807 0.0920252
13 0.0020326 0.0016508 0.0020323 0.0012883 0.2305656 -0.2892798 0.0207610 -0.1322803 -0.1364195 -0.1771531
14 0.0001327 -0.0164249 0.0001328 -0.0162821 -0.1388720 -0.4459653 -0.0941674 -0.0840875 0.1875841 -0.1627348
15 -0.0007488 -0.0036832 -0.0007486 -0.0032808 -0.2402245 0.1954930 -0.0250493 0.3920530 0.1314617 -0.1542366
16 0.0000198 0.0127874 0.0000195 0.0124974 0.1991330 0.5011897 0.2262724 -0.1284792 0.2144143 -0.0320763
17 0.0002612 0.0035467 0.0002602 0.0031425 0.1942857 -0.1015136 0.0275776 -0.4879717 -0.0630420 0.2725021
18 0.0000155 0.0056134 0.0000153 0.0054444 0.1089522 0.2957230 0.1635421 -0.1483015 0.3211505 -0.1912337
19 0.0000878 0.0022170 0.0000856 0.0018620 0.1137675 -0.0320033 0.0236219 -0.4108289 0.0221453 0.1773217
20 0.0000064 0.0025428 0.0000058 0.0023508 0.0649335 0.1572991 0.1013134 -0.1504886 0.3095389 -0.3249955
21 0.0000276 0.0012705 0.0000229 0.0008484 0.0626483 0.0042081 0.0176889 -0.2906378 0.0738543 0.0066834
22 -0.0000027 -0.0011421 -0.0000019 -0.0008573 -0.0515900 -0.0402883 -0.0384610 0.1183107 -0.1684398 0.2960298
23 0.0000072 0.0004151 0.0000000 0.0000000 0.0194040 0.0042481 0.0044818 -0.1233837 0.0331803 -0.0186751
24 0.0000004 0.0003046 0.0000000 0.0000000 0.0224790 -0.0116026 0.0046682 -0.0422411 0.0319456 -0.1214623
11 12 13 14 15 16 17 18 19 20
1 0.0385227 0.0636272 -0.0170832 -0.1071644 -0.0194044 0.1408938 0.0211104 0.0132109 -0.0920623 0.0147603
2 0.0369108 0.0434150 0.0840279 -0.0199157 0.1005913 0.0235919 -0.1076546 0.0091802 -0.0121990 0.0107271
3 0.1000968 0.1531365 -0.0535642 -0.3752040 -0.0835125 0.6350579 0.1007628 0.0700883 -0.4645077 0.0902000
4 0.0988074 0.1354799 0.3465953 -0.0442911 0.5388522 0.0891886 -0.6722010 0.0259962 -0.0467671 0.0863634
5 -0.0491830 -0.3418891 0.0609138 0.2732946 -0.0239672 0.1646482 0.0681091 0.1214975 -0.2941218 0.1714881
6 0.2381603 0.2329938 0.2825608 -0.1226265 0.0014320 -0.0627238 0.4060129 0.1587967 0.0822454 -0.1896780
7 0.2340541 -0.0246459 0.0576860 0.2735393 0.0058772 -0.1940920 0.0511211 0.3056040 0.0937664 0.3089458
8 -0.0781705 -0.0584703 -0.3290847 0.1469256 -0.2301263 -0.0006133 -0.2378667 -0.4897955 -0.0258584 0.2596626
9 -0.0475097 0.2327820 -0.1183370 -0.2455765 -0.0373864 -0.0147933 -0.0738454 0.1231227 0.3123918 0.2729478
10 -0.2193767 -0.2749229 -0.2972355 -0.0359287 0.0602671 0.0228115 -0.1759222 0.6786409 -0.0384667 -0.1094845
11 -0.0644341 -0.1083358 -0.0881379 -0.2931438 -0.0800480 0.2453330 -0.0423339 -0.0615235 0.2230764 0.0645251
12 0.1568870 0.1601746 -0.2681331 0.0524439 -0.2937244 -0.0275470 -0.2340989 0.1914094 -0.0643655 0.2050287
13 -0.2313396 0.1586561 -0.0943868 -0.3720232 -0.0682674 -0.1427984 -0.0145070 0.1522013 0.2626098 0.0288297
14 0.1338446 0.2191916 0.2265371 0.0882369 -0.1501340 -0.0297910 0.0727080 0.0164370 -0.0940422 0.3746519
15 0.3115385 -0.2771057 0.1053857 -0.0620040 -0.0613470 0.2624606 -0.0173189 0.0029824 0.3532024 0.0395656
16 -0.3023651 -0.0926718 0.1031842 -0.1312633 0.3148968 0.0077691 0.2336576 -0.2038726 0.0400763 0.0777646
17 -0.0539408 -0.0190779 0.0478935 0.3086421 0.0446619 0.2039681 0.1150947 0.1150320 -0.0798659 -0.0791199
18 -0.1248397 0.1254782 0.3312548 -0.0270236 -0.2156423 -0.0453216 0.0135160 0.1284405 -0.0378707 0.3606010
19 0.2430241 -0.2941619 0.1373568 0.0811033 -0.1311070 0.2972228 -0.0282622 0.0031359 0.3931635 -0.0244493
20 0.1738413 0.2959707 0.0489827 0.0961617 -0.3137506 -0.0175622 -0.2152907 0.0299385 -0.0403532 -0.3382017
21 0.4523779 -0.3209209 -0.0399893 -0.2961771 -0.0223161 -0.1949974 -0.0690122 -0.0900698 -0.0618244 0.0155036
22 -0.3202290 -0.3026542 0.3960492 -0.1569566 -0.2561325 -0.0788247 -0.0427540 0.0236023 -0.0328462 0.2384542
23 0.2741841 -0.2271071 -0.0626958 -0.3252555 0.0828634 -0.4039583 0.0600697 0.0138429 -0.3583305 0.0697044
24 0.1677284 0.1220638 -0.3388253 0.1083285 0.4167386 0.0893659 0.2703924 0.0155269 0.1273878 0.4013577
21 22 23 24 25 26 27 28 29 30
1 0.0312472 -0.0219127 -0.0101889 -0.0079901 -0.0120191 0.0032355 -0.0419009 -0.0120016 -0.0106868 -0.0515120
2 0.0017680 -0.0065990 -0.0008995 -0.0019842 0.0031762 0.0007882 0.1194461 -0.0269994 -0.2003850 0.0147105
3 0.1877246 -0.1064387 -0.0599897 -0.0432009 -0.0708245 0.0174086 -0.0150701 -0.0130381 -0.0167475 -0.0858843
4 0.0003509 -0.0386552 -0.0089894 -0.0058401 0.0308281 0.0040432 -0.0370025 -0.0281395 -0.1098856 0.0280273
5 0.3271159 -0.0599089 -0.0800632 -0.0399697 -0.0759320 0.0193615 0.1580142 0.0491595 0.0232952 0.1490910
6 -0.0494859 0.0581387 0.0543456 -0.0099618 -0.0354326 -0.0017307 0.1984173 0.0593275 -0.5765381 -0.0236940
7 0.5638672 0.0828916 -0.0364433 -0.0057219 -0.0038631 0.0404049 -0.3307263 -0.0688015 -0.1249879 -0.3097527
8 0.0842629 -0.0907479 -0.0667085 0.0467388 0.0695437 -0.0058346 0.1946695 -0.0744858 -0.5864394 0.0420805
9 0.3634835 0.2518019 0.1259655 0.0738531 0.1273361 0.0488658 0.4887248 0.1597305 0.2006776 0.3256829
10 -0.2022355 0.1209448 -0.0129203 -0.0880815 -0.0495892 0.0219110 0.2074993 -0.0354127 -0.3150768 0.0086216
11 -0.0186681 0.4494127 0.3524022 0.1284795 0.1722090 0.0712521 -0.4176601 -0.2157341 -0.1217192 -0.0821767
12 -0.3020282 0.0985642 -0.1872940 -0.1139730 0.0260276 0.0348755 -0.2846372 0.4596286 0.0337302 -0.0292160
13 0.1543205 -0.4685152 -0.4255376 -0.0536267 0.0297355 -0.1423667 -0.2282393 -0.2902749 -0.0210629 0.1577224
14 -0.3212354 0.3403808 -0.3438437 -0.2462217 0.0604442 0.1022336 0.1443774 -0.4443752 0.0951048 0.0704164
15 -0.0888345 -0.1343912 -0.2687809 0.1001873 0.4008019 -0.2211703 0.2363916 0.1967597 0.0237166 -0.4463707
16 0.0722427 0.2439293 -0.3324247 -0.3093399 0.0711454 0.0819041 -0.2005952 0.5003517 -0.2254554 0.1522566
17 -0.0348052 0.0622302 -0.0551545 0.2006253 0.5105949 -0.3717710 -0.1870506 -0.1034773 -0.0246377 0.5157944
18 -0.1820320 -0.2064222 0.1709724 0.4890885 -0.1721259 -0.0661782 -0.1092686 0.2950642 -0.1625091 0.1617676
19 -0.0626421 -0.2029079 -0.0083670 -0.1236311 -0.2009176 0.4994410 -0.1035159 -0.0347046 -0.0198727 0.3858559
20 0.1947033 -0.0923659 0.2270969 -0.4421719 0.2326903 -0.0652615 -0.0583801 0.1593721 -0.0988487 0.1337847
21 0.0291613 0.1891783 -0.0366454 -0.0560340 -0.3600570 -0.5312524 -0.0449623 0.0013241 -0.0126363 0.1942530
22 -0.0544403 -0.1208112 0.3159200 -0.4361047 0.1369853 -0.1838140 0.0356392 -0.0469940 0.0343951 -0.0756140
23 -0.0315672 -0.1607892 0.0639499 0.1109577 0.4788030 0.4071012 0.0000000 0.0000000 0.0000000 0.0000000
24 -0.2087634 -0.2991792 0.3668226 -0.2937366 0.0158918 -0.1551695 0.0000000 0.0000000 0.0000000 0.0000000
31 32 33 34 35 36 37 38 39 40
1 0.0641487 -0.1103449 -0.0306929 0.0695144 0.0230734 -0.1332950 -0.0212626 -0.1386308 -0.0141576 0.0087379
2 -0.0756333 -0.0099251 -0.0617812 0.0270760 -0.0946971 -0.0239424 0.1241725 -0.0106536 -0.0589161 0.0042421
3 0.1034529 -0.2149930 -0.0869070 0.1803212 0.0850453 -0.5248746 -0.0966464 -0.6684981 -0.0703876 0.0475027
4 -0.1323543 -0.0075061 -0.1995805 0.0767075 -0.4272664 -0.0679928 0.7291448 -0.0188484 -0.3826150 -0.0061458
5 -0.3850350 0.5810559 0.0430152 -0.3854166 -0.0295136 0.1263526 -0.0564867 -0.3283025 -0.0552733 0.1046337
6 -0.4081348 -0.0750498 -0.3203191 0.1657568 -0.2424339 -0.0695425 -0.2619500 0.0644196 0.3365943 0.1943891
7 0.1350545 -0.2603210 -0.1629782 -0.1640442 -0.0427690 0.2740144 -0.0507237 0.1477281 -0.0451699 0.2996266
8 0.0306318 -0.1066067 0.1589079 -0.0611139 0.3696786 0.1350127 0.0030343 -0.0147879 -0.2708773 -0.5236319
9 -0.0426484 -0.1123925 -0.0040365 0.2756331 0.1128056 -0.1943541 0.0052303 0.2483003 -0.1056210 0.1180335
10 0.2665709 0.0415159 0.3663349 -0.1423926 0.2097793 -0.0648256 0.1903037 0.0030659 -0.1132645 0.6761927
11 -0.1298697 0.3543812 0.0676128 -0.0010726 0.1252193 -0.3905275 -0.0172552 0.0410622 -0.0418790 -0.0603655
12 -0.4524637 -0.1514301 -0.1138340 0.0925920 0.3816138 0.0843245 -0.0423965 0.0063877 -0.3438517 0.1551114
13 -0.1236800 0.2117702 0.1458907 0.3497673 0.0825072 -0.2090828 -0.0530910 0.3029079 -0.0248881 0.1573632
14 0.1805892 0.1331309 -0.3213052 0.0954447 -0.1039620 0.1147396 -0.2045088 -0.0481759 -0.1504979 -0.0101311
15 0.0941098 0.1172413 -0.1915149 -0.3449721 -0.0227666 -0.2897320 -0.0513806 0.0719010 -0.0516038 0.0062419
16 0.2345487 0.1018629 0.2754193 0.0447345 -0.2791652 -0.1132254 0.0620183 0.0092514 0.3069794 -0.1767941
17 -0.0337102 -0.2609988 0.0185574 -0.1588261 -0.0678700 0.1705291 -0.0211497 -0.3069769 0.0827360 0.1218188
18 0.3329177 0.2318805 -0.1072209 0.1284370 -0.2331575 0.0367599 -0.3064799 0.0178405 -0.3487984 0.0823258
19 0.0261324 -0.1921449 -0.1719243 -0.4655800 -0.0291492 -0.2481267 -0.1095752 0.1127438 -0.0906266 0.0045021
20 0.2974517 0.2792510 -0.4179506 0.1371604 0.2058542 0.1241862 -0.0273187 -0.0207601 -0.1422861 0.0250804
21 0.0454346 -0.0567251 -0.2407946 -0.3264816 0.1384236 -0.3383574 0.0816072 0.3382129 0.0832688 -0.0803993
22 -0.1360062 -0.1717103 0.3587785 -0.0905594 -0.4087910 -0.1013874 -0.4068034 0.1210223 -0.4745266 -0.0338524
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
41 42 43 44 45 46
1 0.0238370 0.0062699 0.0370887 -0.0258352 -0.0026526 0.0058969
2 -0.0004391 -0.0027232 0.0029953 -0.0038513 -0.0023561 -0.0003570
3 0.1505180 0.0263375 0.2088073 -0.1359087 -0.0160731 0.0337605
4 -0.0001514 -0.0292210 0.0006154 -0.0216405 -0.0129751 -0.0074002
5 0.2756791 -0.0647670 0.2756694 -0.1106015 -0.0287679 0.0371587
6 -0.0880061 0.0735830 -0.0176368 0.0653362 0.0072180 0.0168532
7 0.4485691 -0.3160135 0.3420177 0.0662195 -0.0476975 0.0373409
8 0.1144384 -0.1544816 0.0212070 -0.0797358 0.0152944 -0.0409995
9 0.3015352 -0.3529313 0.1101947 0.3350985 -0.0068962 0.0069471
10 -0.0561885 0.1972425 -0.1504207 0.0330438 -0.0724936 0.0524712
11 0.0479860 -0.1129675 -0.1677995 0.6143391 0.0615565 0.0159175
12 0.0944971 0.1265891 -0.3238401 -0.0989242 -0.1433997 0.0377071
13 -0.0552338 -0.2765582 0.1193889 -0.5790431 -0.0965832 -0.1491961
14 0.3733995 0.1279910 -0.4884407 -0.0596030 -0.3337443 0.1086002
15 -0.1450214 -0.4177107 -0.2836328 -0.1463251 -0.1018461 -0.3535263
16 0.2952817 -0.0561974 -0.1330544 -0.0662316 -0.4134465 0.0928889
17 -0.0921741 -0.2405653 -0.1987636 0.1297662 -0.0377957 -0.5631935
18 0.0622759 0.0149833 -0.0849200 -0.0731309 0.6019150 -0.0657875
19 -0.2411657 -0.2086573 -0.0409007 -0.1128545 -0.0120330 0.5866003
20 -0.3797341 0.0370943 0.3549444 0.1727992 -0.4453292 -0.0821906
21 0.3073861 0.5118835 0.1730983 -0.0875045 0.0532352 -0.3591693
22 -0.1161406 0.1930665 0.1953633 0.1243835 -0.3153811 -0.1432421
23 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
24 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
Iter=13 L=4 The G Matrix
0 1 2 3
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000050490328
Norm of residual vector 0 after precondition 0.0000050490328
1 0.2103100858 5.27e-16 5.05e-06 N
Norm of residual vector af preconditioning 0.0000015839686
Norm of residual vector 1 before precondition 0.0003878078485
Norm of residual vector 1 after precondition 0.0003878078485
2 0.4095442382 -1.11e-16 3.88e-04 N
Norm of residual vector af preconditioning 0.0001187395295
Iter=14 L=6 resetting norm
SigmaSS, D(norm sigma)= 0.7621598458
FSD , D(norm sigma)= 0.0000608897
WamefSD, D(norm sigma)= 0.0250837376
WmnieSD, D(norm sigma)= 0.0207929904
WmaijDS, D(norm sigma)= 0.0061190653
WabejDS, D(norm sigma)= 0.0033446703
WnmjeDS, D(norm sigma)= -0.0000130151
WbmfeDS, D(norm sigma)= 0.0000304674
Fbe_FDD , D(norm sigma)= 1.2424221523
Fmj_DD, D(norm sigma)= 1.7538888604
WmnijDD, D(norm sigma)= 0.5090886542
WabefDD, D(norm sigma)= 0.3735958282
WmbejDD, D(norm sigma)= -1.1965647044
WmnefDD XAF, D(norm sigma)= 0.0010053981
WmnefDD XLI, D(norm sigma)= 0.0003599180
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.6722881214
FSD , D(norm sigma)= 0.0001271971
WamefSD, D(norm sigma)= 0.0043857843
WmnieSD, D(norm sigma)= 0.0201284095
WmaijDS, D(norm sigma)= 0.0113756666
WabejDS, D(norm sigma)= 0.0019094514
WnmjeDS, D(norm sigma)= -0.0000051842
WbmfeDS, D(norm sigma)= -0.0000167395
Fbe_FDD , D(norm sigma)= 1.0011514662
Fmj_DD, D(norm sigma)= 2.5519935591
WmnijDD, D(norm sigma)= 0.6041907354
WabefDD, D(norm sigma)= 0.2600505454
WmbejDD, D(norm sigma)= -0.9775052620
WmnefDD XAF, D(norm sigma)= 0.0010378240
WmnefDD XLI, D(norm sigma)= 0.0001243364
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
5
0 -0.001083574051123
1 0.001283545355447
2 0.055335959748433
3 0.109273443550084
4 -0.014205851118300
5 2.214299154895735
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000015318374
Norm of residual vector 0 after precondition 0.0000015318374
1 0.2103100867 9.27e-10 1.53e-06 N
Norm of residual vector af preconditioning 0.0000004715504
Norm of residual vector 1 before precondition 0.0001476950800
Norm of residual vector 1 after precondition 0.0001476950800
2 0.4095439396 -2.99e-07 1.48e-04 N
Norm of residual vector af preconditioning 0.0000444828345
Iter=15 L=8 resetting norm
SigmaSS, D(norm sigma)= 0.7598879751
FSD , D(norm sigma)= 0.0000596320
WamefSD, D(norm sigma)= 0.0224442307
WmnieSD, D(norm sigma)= 0.0437287167
WmaijDS, D(norm sigma)= 0.0069391312
WabejDS, D(norm sigma)= 0.0037015596
WnmjeDS, D(norm sigma)= -0.0000035379
WbmfeDS, D(norm sigma)= 0.0000716732
Fbe_FDD , D(norm sigma)= 1.2806600758
Fmj_DD, D(norm sigma)= 1.7786815299
WmnijDD, D(norm sigma)= 0.4976051279
WabefDD, D(norm sigma)= 0.3434951952
WmbejDD, D(norm sigma)= -1.1591826905
WmnefDD XAF, D(norm sigma)= 0.0011130388
WmnefDD XLI, D(norm sigma)= 0.0001223306
resetting norm
resetting norm
SigmaSS, D(norm sigma)= 0.7771852431
FSD , D(norm sigma)= 0.0000729530
WamefSD, D(norm sigma)= 0.0319602727
WmnieSD, D(norm sigma)= 0.0064193165
WmaijDS, D(norm sigma)= 0.0142039564
WabejDS, D(norm sigma)= 0.0074326262
WnmjeDS, D(norm sigma)= -0.0000232778
WbmfeDS, D(norm sigma)= 0.0001259484
Fbe_FDD , D(norm sigma)= 0.9161901999
Fmj_DD, D(norm sigma)= 3.3838680436
WmnijDD, D(norm sigma)= 0.7160565386
WabefDD, D(norm sigma)= 0.2216382717
WmbejDD, D(norm sigma)= -0.7970254530
WmnefDD XAF, D(norm sigma)= 0.0003807456
WmnefDD XLI, D(norm sigma)= 0.0001340980
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
5 6 7
0 -0.001083574051123 -0.001650206594822 0.000491661817927
1 0.001283545355447 -0.001476669085518 0.000380774590261
2 0.055335959748433 0.200898246931190 0.113397809527395
3 0.109273443550084 -0.037229250029982 -0.030338832347834
4 -0.014205851118300 -0.994988987489328 -0.087508407946844
5 2.214299154895735 -0.003003516605811 -1.080602807815181
6 -0.000756715845185 2.420649274238834 -0.022573986836278
7 -1.082323502726696 -0.021891346633775 2.555776544528558
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000004663212
Norm of residual vector 0 after precondition 0.0000004663212
1 0.2103100881 1.41e-09 4.66e-07 Y
Norm of residual vector 1 before precondition 0.0000638859746
Norm of residual vector 1 after precondition 0.0000638859746
2 0.4095439951 5.56e-08 6.39e-05 N
Norm of residual vector af preconditioning 0.0000186464167
Iter=16 L=9 resetting norm
SigmaSS, D(norm sigma)= 0.8877572376
FSD , D(norm sigma)= -0.0000643798
WamefSD, D(norm sigma)= 0.0201190421
WmnieSD, D(norm sigma)= 0.0527734047
WmaijDS, D(norm sigma)= 0.0126542566
WabejDS, D(norm sigma)= 0.0067730787
WnmjeDS, D(norm sigma)= 0.0000495765
WbmfeDS, D(norm sigma)= 0.0000235942
Fbe_FDD , D(norm sigma)= 0.9554594828
Fmj_DD, D(norm sigma)= 4.1293066527
WmnijDD, D(norm sigma)= 0.8521562240
WabefDD, D(norm sigma)= 0.2255357224
WmbejDD, D(norm sigma)= -0.7634469161
WmnefDD XAF, D(norm sigma)= 0.0003664807
WmnefDD XLI, D(norm sigma)= 0.0000943730
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
5 6 7 8
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003881999
Norm of residual vector 0 after precondition 0.0000003881999
1 0.2103100886 4.54e-10 3.88e-07 Y
Norm of residual vector 1 before precondition 0.0000283200791
Norm of residual vector 1 after precondition 0.0000283200791
2 0.4095439676 -2.75e-08 2.83e-05 N
Norm of residual vector af preconditioning 0.0000090874031
Iter=17 L=10 resetting norm
SigmaSS, D(norm sigma)= 0.5728794737
FSD , D(norm sigma)= -0.0000088289
WamefSD, D(norm sigma)= 0.0060861924
WmnieSD, D(norm sigma)= 0.0487613731
WmaijDS, D(norm sigma)= 0.0125426146
WabejDS, D(norm sigma)= 0.0070743498
WnmjeDS, D(norm sigma)= 0.0000719089
WbmfeDS, D(norm sigma)= -0.0000324664
Fbe_FDD , D(norm sigma)= 1.1404439807
Fmj_DD, D(norm sigma)= 2.9346195365
WmnijDD, D(norm sigma)= 0.6618108526
WabefDD, D(norm sigma)= 0.2583782944
WmbejDD, D(norm sigma)= -0.8891856487
WmnefDD XAF, D(norm sigma)= 0.0008030136
WmnefDD XLI, D(norm sigma)= 0.0001977673
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003695361
Norm of residual vector 0 after precondition 0.0000003695361
1 0.2103100885 -4.70e-11 3.70e-07 Y
Norm of residual vector 1 before precondition 0.0000182053942
Norm of residual vector 1 after precondition 0.0000182053942
2 0.4095439957 2.81e-08 1.82e-05 N
Norm of residual vector af preconditioning 0.0000051687074
Iter=18 L=11 resetting norm
SigmaSS, D(norm sigma)= 0.7659821369
FSD , D(norm sigma)= -0.0001094129
WamefSD, D(norm sigma)= 0.0143290206
WmnieSD, D(norm sigma)= 0.0460070454
WmaijDS, D(norm sigma)= 0.0129805808
WabejDS, D(norm sigma)= 0.0067974834
WnmjeDS, D(norm sigma)= 0.0000536288
WbmfeDS, D(norm sigma)= -0.0002307503
Fbe_FDD , D(norm sigma)= 1.0138205756
Fmj_DD, D(norm sigma)= 5.2245622607
WmnijDD, D(norm sigma)= 1.0322777569
WabefDD, D(norm sigma)= 0.2335005621
WmbejDD, D(norm sigma)= -0.7359382860
WmnefDD XAF, D(norm sigma)= 0.0004324598
WmnefDD XLI, D(norm sigma)= 0.0000310197
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
10
0 -0.006488458945706
1 0.000908851002092
2 0.190681870596475
3 -0.142017676921333
4 -0.282791558630625
5 -0.694928142492052
6 0.245333814821795
7 1.066634081872786
8 1.360211408754594
9 1.590635718561351
10 3.759775147280474
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003384573
Norm of residual vector 0 after precondition 0.0000003384573
1 0.2103100883 -1.95e-10 3.38e-07 Y
Norm of residual vector 1 before precondition 0.0000135001288
Norm of residual vector 1 after precondition 0.0000135001288
2 0.4095439960 2.69e-10 1.35e-05 N
Norm of residual vector af preconditioning 0.0000037611486
Iter=19 L=12 resetting norm
SigmaSS, D(norm sigma)= 0.6298620439
FSD , D(norm sigma)= -0.0000688715
WamefSD, D(norm sigma)= 0.0286493242
WmnieSD, D(norm sigma)= 0.0225269366
WmaijDS, D(norm sigma)= 0.0106785227
WabejDS, D(norm sigma)= 0.0036136462
WnmjeDS, D(norm sigma)= -0.0000049567
WbmfeDS, D(norm sigma)= -0.0000198017
Fbe_FDD , D(norm sigma)= 1.1154514740
Fmj_DD, D(norm sigma)= 4.3962905495
WmnijDD, D(norm sigma)= 0.8919713129
WabefDD, D(norm sigma)= 0.2394624114
WmbejDD, D(norm sigma)= -0.8104167399
WmnefDD XAF, D(norm sigma)= 0.0004238102
WmnefDD XLI, D(norm sigma)= 0.0001615966
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
11 -0.000000244229860 -0.000024620490957 0.196286327637485 -0.093172941880116 -0.255210702506207
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
11 0.025270840546413 0.210224430612100 -0.023447901055579 -0.156479550797757 -0.776574900233337
10 11
0 -0.006488458945706 0.004756588262997
1 0.000908851002092 -0.000565998962157
2 0.190681870596475 0.197417027497363
3 -0.142017676921333 -0.091809366102031
4 -0.282791558630625 -0.254812310275007
5 -0.694928142492052 0.025496722004551
6 0.245333814821795 0.209316419251262
7 1.066634081872786 -0.022300323035480
8 1.360211408754594 -0.157961144209708
9 1.590635718561351 -0.775320223476096
10 3.759775147280474 -1.822917947319106
11 -1.824699559060725 3.281559931599315
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003065713
Norm of residual vector 0 after precondition 0.0000003065713
1 0.2103100884 4.61e-11 3.07e-07 Y
Norm of residual vector 1 before precondition 0.0000104440431
Norm of residual vector 1 after precondition 0.0000104440431
2 0.4095439859 -1.00e-08 1.04e-05 N
Norm of residual vector af preconditioning 0.0000025160858
Iter=20 L=13 resetting norm
SigmaSS, D(norm sigma)= 0.6468474150
FSD , D(norm sigma)= -0.0000364038
WamefSD, D(norm sigma)= 0.0178819967
WmnieSD, D(norm sigma)= 0.0259091578
WmaijDS, D(norm sigma)= 0.0053991869
WabejDS, D(norm sigma)= 0.0019988302
WnmjeDS, D(norm sigma)= 0.0000081496
WbmfeDS, D(norm sigma)= -0.0001466055
Fbe_FDD , D(norm sigma)= 1.2037059688
Fmj_DD, D(norm sigma)= 6.4545549850
WmnijDD, D(norm sigma)= 1.2358144114
WabefDD, D(norm sigma)= 0.2421820964
WmbejDD, D(norm sigma)= -0.7779821463
WmnefDD XAF, D(norm sigma)= 0.0002684591
WmnefDD XLI, D(norm sigma)= 0.0000455390
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
11 -0.000000244229860 -0.000024620490957 0.196286327637485 -0.093172941880116 -0.255210702506207
12 0.000000050413702 -0.000015281458455 -0.181298901812247 0.077023861428052 0.115273646596359
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
11 0.025270840546413 0.210224430612100 -0.023447901055579 -0.156479550797757 -0.776574900233337
12 0.303391025843245 0.135806262296432 -0.548066059911337 -0.815094967763671 -0.648284563644980
10 11 12
0 -0.006488458945706 0.004756588262997 0.002660308948120
1 0.000908851002092 -0.000565998962157 -0.001152986690779
2 0.190681870596475 0.197417027497363 -0.181046497695012
3 -0.142017676921333 -0.091809366102031 0.075975816981938
4 -0.282791558630625 -0.254812310275007 0.116186201635108
5 -0.694928142492052 0.025496722004551 0.302991216719447
6 0.245333814821795 0.209316419251262 0.134600764771772
7 1.066634081872786 -0.022300323035480 -0.547393838118551
8 1.360211408754594 -0.157961144209708 -0.815520489664455
9 1.590635718561351 -0.775320223476096 -0.647156568985979
10 3.759775147280474 -1.822917947319106 -1.704660838273791
11 -1.824699559060725 3.281559931599315 2.431697438436355
12 -1.704136483344232 2.431110131631022 4.680266654930550
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003013351
Norm of residual vector 0 after precondition 0.0000003013351
1 0.2103100884 2.70e-11 3.01e-07 Y
Norm of residual vector 1 before precondition 0.0000055918762
Norm of residual vector 1 after precondition 0.0000055918762
2 0.4095439768 -9.10e-09 5.59e-06 N
Norm of residual vector af preconditioning 0.0000016097388
Iter=21 L=14 resetting norm
SigmaSS, D(norm sigma)= 0.6437024182
FSD , D(norm sigma)= -0.0000539433
WamefSD, D(norm sigma)= 0.0057948510
WmnieSD, D(norm sigma)= 0.0388101212
WmaijDS, D(norm sigma)= 0.0060438987
WabejDS, D(norm sigma)= 0.0027569171
WnmjeDS, D(norm sigma)= 0.0000108340
WbmfeDS, D(norm sigma)= -0.0000405616
Fbe_FDD , D(norm sigma)= 1.0414245371
Fmj_DD, D(norm sigma)= 8.2303468805
WmnijDD, D(norm sigma)= 1.4980975815
WabefDD, D(norm sigma)= 0.2287986839
WmbejDD, D(norm sigma)= -0.7323317136
WmnefDD XAF, D(norm sigma)= 0.0001563777
WmnefDD XLI, D(norm sigma)= 0.0000575591
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
11 -0.000000244229860 -0.000024620490957 0.196286327637485 -0.093172941880116 -0.255210702506207
12 0.000000050413702 -0.000015281458455 -0.181298901812247 0.077023861428052 0.115273646596359
13 0.000000298594843 0.000029339132992 -0.210404303328508 0.039496100011306 0.313592378759465
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
11 0.025270840546413 0.210224430612100 -0.023447901055579 -0.156479550797757 -0.776574900233337
12 0.303391025843245 0.135806262296432 -0.548066059911337 -0.815094967763671 -0.648284563644980
13 -0.262662575141893 -0.394252432601772 0.565521424629404 1.030558965031341 1.043756348990192
10 11 12 13
0 -0.006488458945706 0.004756588262997 0.002660308948120 -0.003436038914676
1 0.000908851002092 -0.000565998962157 -0.001152986690779 -0.000632018867959
2 0.190681870596475 0.197417027497363 -0.181046497695012 -0.209416172119314
3 -0.142017676921333 -0.091809366102031 0.075975816981938 0.041136246178686
4 -0.282791558630625 -0.254812310275007 0.116186201635108 0.314439853640201
5 -0.694928142492052 0.025496722004551 0.302991216719447 -0.263704131452659
6 0.245333814821795 0.209316419251262 0.134600764771772 -0.394754106784669
7 1.066634081872786 -0.022300323035480 -0.547393838118551 0.564176866625983
8 1.360211408754594 -0.157961144209708 -0.815520489664455 1.032199315364624
9 1.590635718561351 -0.775320223476096 -0.647156568985979 1.044898266699157
10 3.759775147280474 -1.822917947319106 -1.704660838273791 1.687493684893247
11 -1.824699559060725 3.281559931599315 2.431697438436355 -2.095103503975193
12 -1.704136483344232 2.431110131631022 4.680266654930550 -3.995450112449164
13 1.685662616690202 -2.094957662152618 -3.995176607384847 5.887716769604141
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000003046110
Norm of residual vector 0 after precondition 0.0000003046110
1 0.2103100884 -2.84e-12 3.05e-07 Y
Norm of residual vector 1 before precondition 0.0000034682632
Norm of residual vector 1 after precondition 0.0000034682632
2 0.4095439673 -9.57e-09 3.47e-06 N
Norm of residual vector af preconditioning 0.0000009797567
Iter=22 L=15 resetting norm
SigmaSS, D(norm sigma)= 0.5324928739
FSD , D(norm sigma)= -0.0000952012
WamefSD, D(norm sigma)= 0.0063507605
WmnieSD, D(norm sigma)= 0.0389869494
WmaijDS, D(norm sigma)= 0.0060448439
WabejDS, D(norm sigma)= 0.0030059212
WnmjeDS, D(norm sigma)= 0.0000540121
WbmfeDS, D(norm sigma)= -0.0002240277
Fbe_FDD , D(norm sigma)= 1.2893805158
Fmj_DD, D(norm sigma)= 8.3286689032
WmnijDD, D(norm sigma)= 1.5295247864
WabefDD, D(norm sigma)= 0.2305757485
WmbejDD, D(norm sigma)= -0.7656403123
WmnefDD XAF, D(norm sigma)= 0.0002160071
WmnefDD XLI, D(norm sigma)= 0.0000977726
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
11 -0.000000244229860 -0.000024620490957 0.196286327637485 -0.093172941880116 -0.255210702506207
12 0.000000050413702 -0.000015281458455 -0.181298901812247 0.077023861428052 0.115273646596359
13 0.000000298594843 0.000029339132992 -0.210404303328508 0.039496100011306 0.313592378759465
14 0.000000147785546 0.000010058690957 0.094937690699000 -0.029856037090170 0.040876767630639
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
11 0.025270840546413 0.210224430612100 -0.023447901055579 -0.156479550797757 -0.776574900233337
12 0.303391025843245 0.135806262296432 -0.548066059911337 -0.815094967763671 -0.648284563644980
13 -0.262662575141893 -0.394252432601772 0.565521424629404 1.030558965031341 1.043756348990192
14 0.014423104238157 -0.307335060690218 0.035179400062372 0.606325772156041 0.870960590537032
10 11 12 13 14
0 -0.006488458945706 0.004756588262997 0.002660308948120 -0.003436038914676 0.001892666340722
1 0.000908851002092 -0.000565998962157 -0.001152986690779 -0.000632018867959 -0.003719359057048
2 0.190681870596475 0.197417027497363 -0.181046497695012 -0.209416172119314 0.093599127076331
3 -0.142017676921333 -0.091809366102031 0.075975816981938 0.041136246178686 -0.027269120435678
4 -0.282791558630625 -0.254812310275007 0.116186201635108 0.314439853640201 0.041083440126175
5 -0.694928142492052 0.025496722004551 0.302991216719447 -0.263704131452659 0.014010230378750
6 0.245333814821795 0.209316419251262 0.134600764771772 -0.394754106784669 -0.306021782353424
7 1.066634081872786 -0.022300323035480 -0.547393838118551 0.564176866625983 0.036887179868463
8 1.360211408754594 -0.157961144209708 -0.815520489664455 1.032199315364624 0.604181960994991
9 1.590635718561351 -0.775320223476096 -0.647156568985979 1.044898266699157 0.871993539799733
10 3.759775147280474 -1.822917947319106 -1.704660838273791 1.687493684893247 1.344138764890940
11 -1.824699559060725 3.281559931599315 2.431697438436355 -2.095103503975193 -1.660841045088102
12 -1.704136483344232 2.431110131631022 4.680266654930550 -3.995450112449164 -2.867738302585558
13 1.685662616690202 -2.094957662152618 -3.995176607384847 5.887716769604141 4.587470118118604
14 1.346424166178724 -1.661183332589968 -2.867932376421547 4.586964788967403 6.250355889177327
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002847818
Norm of residual vector 0 after precondition 0.0000002847818
1 0.2103100882 -1.36e-10 2.85e-07 Y
Norm of residual vector 1 before precondition 0.0000017394760
Norm of residual vector 1 after precondition 0.0000017394760
2 0.4095439699 2.66e-09 1.74e-06 N
Norm of residual vector af preconditioning 0.0000005017792
Iter=23 L=16 resetting norm
SigmaSS, D(norm sigma)= 0.6471361348
FSD , D(norm sigma)= 0.0000325363
WamefSD, D(norm sigma)= 0.0061416353
WmnieSD, D(norm sigma)= 0.0318840374
WmaijDS, D(norm sigma)= 0.0088732022
WabejDS, D(norm sigma)= 0.0007568761
WnmjeDS, D(norm sigma)= 0.0000154328
WbmfeDS, D(norm sigma)= 0.0000209816
Fbe_FDD , D(norm sigma)= 1.2259151019
Fmj_DD, D(norm sigma)= 7.6730305152
WmnijDD, D(norm sigma)= 1.4243027895
WabefDD, D(norm sigma)= 0.2096889543
WmbejDD, D(norm sigma)= -0.7542211207
WmnefDD XAF, D(norm sigma)= 0.0002538917
WmnefDD XLI, D(norm sigma)= 0.0000385027
resetting norm
The G Matrix
0 1 2 3 4
0 0.210310085758751 -0.000194332398093 0.000506759557697 0.000486203482903 -0.000692856286752
1 0.000000000000000 0.409544238200941 0.000783938337910 0.000786247667051 0.000594818803911
2 0.000000000003983 -0.000000000000003 1.358492006087693 -0.209901399175171 -0.757610772351628
3 -0.000000000002155 -0.000000000000017 -0.210581625479361 0.522791158830782 0.158886907469754
4 0.000004129298081 0.000238162415114 -0.757960301138072 0.161068241752419 2.361515921810713
5 -0.000000066724289 -0.000159352963944 0.056653658533741 0.111063458804113 -0.013368500825860
6 -0.000000909115489 -0.000056932937402 0.201563814224772 -0.041448155931457 -0.994786220004377
7 0.000000004459717 0.000060394134584 0.112843903822363 -0.032396214102863 -0.087863164772744
8 0.000000058964243 0.000048231143562 0.072206947231486 -0.094007437954929 0.046162006238739
9 -0.000000167825115 -0.000006709598169 -0.133505088732992 0.114854461116955 0.050432695556028
10 -0.000000230565621 0.000022348014412 0.190721478410191 -0.139695063786574 -0.281791926050642
11 -0.000000244229860 -0.000024620490957 0.196286327637485 -0.093172941880116 -0.255210702506207
12 0.000000050413702 -0.000015281458455 -0.181298901812247 0.077023861428052 0.115273646596359
13 0.000000298594843 0.000029339132992 -0.210404303328508 0.039496100011306 0.313592378759465
14 0.000000147785546 0.000010058690957 0.094937690699000 -0.029856037090170 0.040876767630639
15 -0.000000100678795 0.000015480235824 0.087995812180229 -0.058624475326728 -0.148191952085752
5 6 7 8 9
0 -0.001083574051123 -0.001650206594822 0.000491661817927 -0.001720931583480 -0.003258156937760
1 0.001283545355447 -0.001476669085518 0.000380774590261 0.000571509332364 0.003541070883063
2 0.055335959748433 0.200898246931190 0.113397809527395 0.073415904531165 -0.133407965214419
3 0.109273443550084 -0.037229250029982 -0.030338832347834 -0.095404180710228 0.107726538775872
4 -0.014205851118300 -0.994988987489328 -0.087508407946844 0.047192074209272 0.050262215133191
5 2.214299154895735 -0.003003516605811 -1.080602807815181 -0.818011806016313 0.095560397622148
6 -0.000756715845185 2.420649274238834 -0.022573986836278 -0.763635658735259 -0.265517225530701
7 -1.082323502726696 -0.021891346633775 2.555776544528558 1.480788744839596 0.084020106725701
8 -0.817387133249781 -0.764371302687387 1.482645975762742 3.163188182596810 1.178148511113733
9 0.092020737119572 -0.265485806154361 0.084490658226552 1.175215607562652 2.566895384919750
10 -0.696201478214869 0.245279815148910 1.068205587560943 1.360298370584161 1.592442707239280
11 0.025270840546413 0.210224430612100 -0.023447901055579 -0.156479550797757 -0.776574900233337
12 0.303391025843245 0.135806262296432 -0.548066059911337 -0.815094967763671 -0.648284563644980
13 -0.262662575141893 -0.394252432601772 0.565521424629404 1.030558965031341 1.043756348990192
14 0.014423104238157 -0.307335060690218 0.035179400062372 0.606325772156041 0.870960590537032
15 -0.297726589162240 0.285320805935106 0.235310639358297 -0.284306061828868 -0.887370409540691
10 11 12 13 14
0 -0.006488458945706 0.004756588262997 0.002660308948120 -0.003436038914676 0.001892666340722
1 0.000908851002092 -0.000565998962157 -0.001152986690779 -0.000632018867959 -0.003719359057048
2 0.190681870596475 0.197417027497363 -0.181046497695012 -0.209416172119314 0.093599127076331
3 -0.142017676921333 -0.091809366102031 0.075975816981938 0.041136246178686 -0.027269120435678
4 -0.282791558630625 -0.254812310275007 0.116186201635108 0.314439853640201 0.041083440126175
5 -0.694928142492052 0.025496722004551 0.302991216719447 -0.263704131452659 0.014010230378750
6 0.245333814821795 0.209316419251262 0.134600764771772 -0.394754106784669 -0.306021782353424
7 1.066634081872786 -0.022300323035480 -0.547393838118551 0.564176866625983 0.036887179868463
8 1.360211408754594 -0.157961144209708 -0.815520489664455 1.032199315364624 0.604181960994991
9 1.590635718561351 -0.775320223476096 -0.647156568985979 1.044898266699157 0.871993539799733
10 3.759775147280474 -1.822917947319106 -1.704660838273791 1.687493684893247 1.344138764890940
11 -1.824699559060725 3.281559931599315 2.431697438436355 -2.095103503975193 -1.660841045088102
12 -1.704136483344232 2.431110131631022 4.680266654930550 -3.995450112449164 -2.867738302585558
13 1.685662616690202 -2.094957662152618 -3.995176607384847 5.887716769604141 4.587470118118604
14 1.346424166178724 -1.661183332589968 -2.867932376421547 4.586964788967403 6.250355889177327
15 -0.997631848651627 1.487492342907036 2.026598579259573 -3.037332365131874 -4.423147766995641
15
0 -0.001004392877922
1 -0.000344639334177
2 0.087588232304720
3 -0.060214515733862
4 -0.149077548739206
5 -0.297889793960127
6 0.286689605874025
7 0.236577319654245
8 -0.284269800135571
9 -0.889133794811157
10 -0.999125233155583
11 1.488476148621571
12 2.027023194543511
13 -3.037375952628954
14 -4.422378660322650
15 5.727557643961739
Root EOM Energy Delta E Res. Norm Conv?
Norm of residual vector 0 before precondition 0.0000002852404
Norm of residual vector 0 after precondition 0.0000002852404
1 0.2103100882 -4.78e-12 2.85e-07 Y
Norm of residual vector 1 before precondition 0.0000007571061
Norm of residual vector 1 after precondition 0.0000007571061
2 0.4095439719 1.93e-09 7.57e-07 Y
Collapsing to only 2 vector(s).
alpha
1 2 3 4 5 6 7 8 9 10
1 -1.0000000 -0.0009759 -0.0018285 0.0044713 0.0029148 -0.0009836 -0.0009664 0.0007121 -0.0005872 0.0010037
2 -0.0000000 0.9999993 -0.0268682 -0.0020009 0.0026833 -0.0042357 0.0027107 0.0004998 0.0021117 0.0009797
3 0.0000018 -0.0002578 -0.1204109 -0.4321140 0.4138372 0.0107749 0.4499090 -0.1646805 -0.3128850 0.3948979
4 -0.0000002 -0.0004389 -0.9310601 -0.0344496 0.1756174 -0.1411083 -0.2061224 -0.0085396 0.1413779 -0.0896958
5 0.0000029 -0.0002273 -0.0105502 -0.0542919 0.2263566 0.2886711 0.4742377 -0.2336951 0.0435114 -0.2537434
6 -0.0000000 0.0001359 0.0355574 0.0756664 -0.1271335 0.0569704 -0.0643618 -0.6681510 0.2922745 0.0919984
7 0.0000008 -0.0000752 0.0184281 -0.1229315 0.1718893 0.4064387 0.0842110 -0.0204839 0.3740055 -0.4752179
8 -0.0000001 0.0000876 0.1541895 0.1114552 0.2914855 -0.3646289 -0.1523005 -0.4873021 0.2738286 0.0527031
9 0.0000002 -0.0000530 -0.0797425 -0.1591337 -0.1326442 0.5807440 -0.1582846 0.0720571 0.2005994 0.1687126
10 0.0000000 0.0000420 0.1694203 0.0938743 0.4567531 -0.2738620 0.0578385 0.2798010 0.0985321 -0.2847932
11 -0.0000001 -0.0000292 -0.1752806 0.1144392 -0.4448538 -0.0536178 0.2582128 -0.2559989 -0.2914174 -0.1055388
12 -0.0000001 -0.0000185 -0.1356234 0.2979421 -0.2448722 -0.1636746 0.4821462 0.0348069 0.0712792 -0.2603132
13 0.0000000 0.0000098 0.0777053 -0.4824050 -0.0731412 -0.0761950 -0.3036760 -0.1903715 -0.2702135 -0.2794298
14 -0.0000000 0.0000057 0.0433034 -0.5212128 -0.2382934 -0.2694909 0.0074046 -0.0174438 0.0416981 -0.3724753
15 0.0000000 -0.0000026 -0.0173114 0.3434260 0.2348222 0.2478582 -0.2212096 -0.1747263 -0.4637941 -0.1798384
16 0.0000000 -0.0000008 -0.0046150 0.1324340 0.1209200 0.1159191 -0.1643490 -0.1287709 -0.3874508 -0.3113135
11 12 13 14 15 16
1 -0.0002921 -0.0014736 0.0007293 0.0009549 -0.0008784 0.0002592
2 0.0008384 0.0011060 -0.0004055 0.0001129 0.0003866 0.0000318
3 0.2201616 -0.0933469 0.2324834 -0.1665686 0.0332061 0.0031023
4 -0.0217292 0.0476815 -0.0575642 0.0335557 -0.0268718 0.0002480
5 -0.3058206 0.1030279 -0.4831798 0.4207600 -0.0468013 -0.0150370
6 0.4822616 0.3040166 -0.0809706 -0.0843449 -0.2987934 0.0270008
7 -0.1542618 -0.0555565 0.3498267 -0.5165780 -0.0230203 0.0412304
8 -0.2617015 -0.3328106 0.1621830 0.1345006 0.4212541 -0.0562563
9 0.2857501 -0.0484975 0.1624825 0.4093016 0.4694032 -0.1247504
10 0.3570399 0.5331001 0.1058265 0.1372870 0.2109745 -0.1445353
11 -0.1990898 0.3981702 0.1654128 -0.1953883 0.4546607 -0.2381464
12 0.2874032 -0.3383543 0.3645845 0.3018042 -0.0975664 0.2627472
13 -0.1501052 0.2239774 0.3317000 0.3395118 -0.1287826 0.3973366
14 0.2480066 -0.3072728 -0.2223340 -0.0218362 -0.0050721 -0.5026367
15 0.0364549 -0.1511679 0.2462412 0.1379022 -0.2904531 -0.5018123
16 0.3404898 -0.2124010 -0.3687291 -0.2272262 0.3829655 0.4118638
alpha_old
1 2 3 4 5 6 7 8 9 10
1 1.0000000 0.0009759 -0.0017834 0.0037957 0.0033460 -0.0005309 -0.0013832 -0.0006004 -0.0014008 -0.0000016
2 0.0000000 -0.9999993 -0.0277853 0.0000743 0.0045475 -0.0022644 0.0017997 0.0000403 0.0010360 -0.0016403
3 -0.0000018 0.0002580 -0.1221854 -0.4717436 0.3770419 0.1242988 0.4746085 0.0687828 -0.4064797 -0.3293137
4 0.0000002 0.0004383 -0.9308081 -0.0523492 0.1777525 -0.1534813 -0.2094804 0.0524442 0.1293368 0.0490154
5 -0.0000029 0.0002273 -0.0104784 -0.0825821 0.2059764 0.4102267 0.3927444 0.2149774 0.1260257 0.3498988
6 0.0000000 -0.0001360 0.0361485 0.0761139 -0.1415721 0.0138329 -0.0234640 0.7134929 0.1459749 -0.4115195
7 -0.0000008 0.0000752 0.0182353 -0.1579794 0.1014374 0.4413281 -0.0645149 0.1041182 0.5059253 0.3249002
8 0.0000001 -0.0000876 0.1547722 0.0929077 0.3568920 -0.3264426 -0.1281577 0.5556633 0.0391514 0.1126777
9 -0.0000002 0.0000530 -0.0802436 -0.1745794 -0.2559314 0.5042424 -0.2906576 0.0044598 0.0616045 -0.3262201
10 -0.0000000 -0.0000421 0.1705493 0.0461854 0.5127284 -0.1718270 0.0207244 -0.2640774 0.3224540 -0.0732352
11 0.0000001 0.0000292 -0.1755053 0.1799338 -0.4031660 -0.0721089 0.3887755 0.1495113 -0.1835226 0.2901596
12 0.0000001 0.0000185 -0.1355235 0.3756785 -0.1134185 -0.0479810 0.4915811 -0.0677372 0.3138436 -0.0752022
13 -0.0000000 -0.0000095 0.0757658 -0.5006132 -0.1796718 -0.2251316 -0.1333069 0.1176160 -0.1212157 0.4266153
14 0.0000000 -0.0000052 0.0400448 -0.4766750 -0.2667899 -0.3464293 0.1830162 -0.0324721 0.3979155 -0.0416059
15 -0.0000000 0.0000017 -0.0122213 0.2110604 0.1372028 0.1708538 -0.1627848 0.0777287 -0.3322331 0.3061876
11 12 13 14 15
1 -0.0000088 -0.0017593 -0.0008248 0.0006733 -0.0003813
2 0.0001142 0.0011721 -0.0000719 -0.0005011 -0.0000364
3 0.0937328 -0.1912312 0.2259101 -0.0362805 -0.0008239
4 0.0002467 0.0662455 -0.0481878 0.0272616 -0.0026147
5 -0.2042699 0.3130885 -0.5486140 0.0550844 0.0138415
6 0.3121341 0.2675652 0.0466526 0.3151212 -0.0499870
7 0.0323166 -0.1795911 0.5977524 0.0325155 -0.0444522
8 -0.2509410 -0.3399549 -0.0607828 -0.4499656 0.0883058
9 0.1750782 -0.1665748 -0.3013193 -0.5223736 0.1607847
10 0.5437633 0.3398072 -0.0399289 -0.2415592 0.1625864
11 0.1714616 0.2722389 0.3063411 -0.4456336 0.2851500
12 0.2591278 -0.5330681 -0.1943027 -0.0070054 -0.2957018
13 0.4395951 -0.0514652 -0.1733083 -0.0533184 -0.4529929
14 -0.0931666 -0.1551813 -0.1245959 0.1827310 0.5534595
15 0.4040339 -0.3367167 -0.1137521 0.3549379 0.5049476
alpha_tot
1 2 3 4 5 6 7 8 9 10
1 -1.0000000 -0.0009759 -0.0018285 0.0044713 0.0029148 -0.0009836 -0.0009664 0.0007121 -0.0005872 0.0010037
2 -0.0000000 0.9999993 -0.0268682 -0.0020009 0.0026833 -0.0042357 0.0027107 0.0004998 0.0021117 0.0009797
3 0.0000018 -0.0002578 -0.1204109 -0.4321140 0.4138372 0.0107749 0.4499090 -0.1646805 -0.3128850 0.3948979
4 -0.0000002 -0.0004389 -0.9310601 -0.0344496 0.1756174 -0.1411083 -0.2061224 -0.0085396 0.1413779 -0.0896958
5 0.0000029 -0.0002273 -0.0105502 -0.0542919 0.2263566 0.2886711 0.4742377 -0.2336951 0.0435114 -0.2537434
6 -0.0000000 0.0001359 0.0355574 0.0756664 -0.1271335 0.0569704 -0.0643618 -0.6681510 0.2922745 0.0919984
7 0.0000008 -0.0000752 0.0184281 -0.1229315 0.1718893 0.4064387 0.0842110 -0.0204839 0.3740055 -0.4752179
8 -0.0000001 0.0000876 0.1541895 0.1114552 0.2914855 -0.3646289 -0.1523005 -0.4873021 0.2738286 0.0527031
9 0.0000002 -0.0000530 -0.0797425 -0.1591337 -0.1326442 0.5807440 -0.1582846 0.0720571 0.2005994 0.1687126
10 0.0000000 0.0000420 0.1694203 0.0938743 0.4567531 -0.2738620 0.0578385 0.2798010 0.0985321 -0.2847932
11 -0.0000001 -0.0000292 -0.1752806 0.1144392 -0.4448538 -0.0536178 0.2582128 -0.2559989 -0.2914174 -0.1055388
12 -0.0000001 -0.0000185 -0.1356234 0.2979421 -0.2448722 -0.1636746 0.4821462 0.0348069 0.0712792 -0.2603132
13 0.0000000 0.0000098 0.0777053 -0.4824050 -0.0731412 -0.0761950 -0.3036760 -0.1903715 -0.2702135 -0.2794298
14 -0.0000000 0.0000057 0.0433034 -0.5212128 -0.2382934 -0.2694909 0.0074046 -0.0174438 0.0416981 -0.3724753
15 0.0000000 -0.0000026 -0.0173114 0.3434260 0.2348222 0.2478582 -0.2212096 -0.1747263 -0.4637941 -0.1798384
16 0.0000000 -0.0000008 -0.0046150 0.1324340 0.1209200 0.1159191 -0.1643490 -0.1287709 -0.3874508 -0.3113135
11 12 13 14 15 16
1 -0.0002921 -0.0014736 0.0007293 0.0009549 -0.0008784 0.0002592
2 0.0008384 0.0011060 -0.0004055 0.0001129 0.0003866 0.0000318
3 0.2201616 -0.0933469 0.2324834 -0.1665686 0.0332061 0.0031023
4 -0.0217292 0.0476815 -0.0575642 0.0335557 -0.0268718 0.0002480
5 -0.3058206 0.1030279 -0.4831798 0.4207600 -0.0468013 -0.0150370
6 0.4822616 0.3040166 -0.0809706 -0.0843449 -0.2987934 0.0270008
7 -0.1542618 -0.0555565 0.3498267 -0.5165780 -0.0230203 0.0412304
8 -0.2617015 -0.3328106 0.1621830 0.1345006 0.4212541 -0.0562563
9 0.2857501 -0.0484975 0.1624825 0.4093016 0.4694032 -0.1247504
10 0.3570399 0.5331001 0.1058265 0.1372870 0.2109745 -0.1445353
11 -0.1990898 0.3981702 0.1654128 -0.1953883 0.4546607 -0.2381464
12 0.2874032 -0.3383543 0.3645845 0.3018042 -0.0975664 0.2627472
13 -0.1501052 0.2239774 0.3317000 0.3395118 -0.1287826 0.3973366
14 0.2480066 -0.3072728 -0.2223340 -0.0218362 -0.0050721 -0.5026367
15 0.0364549 -0.1511679 0.2462412 0.1379022 -0.2904531 -0.5018123
16 0.3404898 -0.2124010 -0.3687291 -0.2272262 0.3829655 0.4118638
Procedure converged for 2 root(s).
<R|R> = 1.0000000000000000
EOM CCSD R0 for root 0 = 0.00000000000
<R|R> = 1.0000000000000000
EOM CCSD R0 for root 1 = 0.00000000000
Final Energetic Summary for Converged Roots of Irrep A2
Excitation Energy Total Energy
(eV) (cm^-1) (au) (au)
EOM State 7 5.723 46157.7 0.2103100882 -38.8224374840
Largest components of excited wave function #7:
RIA alpha
1 13 -0.0270497858
2 13 0.0258980783
4 0 -0.0252679162
1 15 -0.0231290009
1 14 0.0215582917
Ria beta
2 0 -0.9522501367
2 3 -0.1210428846
2 2 -0.0929280058
2 1 -0.0786138241
2 4 0.0362270433
RIJAB alpha
3 2 15 10 -0.0013613573
4 2 15 14 0.0012017998
2 1 15 0 -0.0011935950
4 2 17 15 0.0011881424
2 1 15 1 0.0011719227
Rijab beta
2 1 5 0 0.0250649417
2 1 2 0 -0.0214818209
2 1 3 0 0.0184735425
2 1 1 0 0.0143986073
2 1 13 11 -0.0124644977
RIjAb alpha,beta
2 2 4 0 -0.0585708497
4 2 14 0 -0.0577149284
4 1 2 0 0.0573874291
3 2 11 0 0.0547692280
2 1 14 0 -0.0466154683
EOM State 8 11.144 89884.5 0.4095439719 -38.6232036004
Largest components of excited wave function #8:
RIA alpha
2 13 0.6886065075
4 0 0.3662958581
2 15 0.1152414261
4 3 -0.0507556405
1 13 0.0447433432
Ria beta
2 1 -0.5368552654
2 3 -0.1030590540
1 15 0.0641013181
2 0 0.0574243026
2 4 -0.0571511770
RIJAB alpha
3 2 13 10 0.0393495553
4 2 15 13 0.0337922397
4 3 10 0 0.0225448324
4 2 1 0 0.0217370239
2 1 15 0 -0.0181951608
Rijab beta
2 1 3 1 0.0168912764
2 1 4 1 0.0111351907
2 1 2 1 -0.0108644203
2 1 12 11 0.0079983032
2 1 3 0 0.0071044302
RIjAb alpha,beta
3 2 0 11 -0.1122337403
2 2 0 0 0.0697827595
2 1 13 1 0.0508124223
4 2 13 0 0.0458478725
1 1 13 0 0.0433390331
Total # of sigma evaluations: 131
******************************************************************************
tstop called on augustus.chemistry.gatech.edu
Wed Mar 12 18:28:29 2008
user time = 3.38 seconds = 0.06 minutes
system time = 3.13 seconds = 0.05 minutes
total time = 7 seconds = 0.12 minutes
--------------------------
PSI3 Computation Completed
--------------------------
PSI3 stopped on augustus.chemistry.gatech.edu at Wed Mar 12 18:28:29 2008
Total PSI3 wall time 9 seconds = 0.15 minutes
******************************************************************************
|