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
|
=-------------------------------------------------------------------=
Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Co 1 1 Co 7.7514
2 2 O 1 2 O 8.0439
3 2 O 1 2 O 8.0439
=-------------------------------------------------------------------=
Hubbard V parameters:
(adapted for a 3x3x3 supercell)
Atom 1 Atom 2 Distance (Bohr) Hubbard V (eV)
1 Co 1 Co 0.000000 7.7514
1 Co 19 O 3.630748 0.7573
1 Co 46 O 3.630748 0.7573
1 Co 43 O 3.630748 0.7573
1 Co 54 O 3.630748 0.7573
1 Co 11 O 3.630748 0.7573
1 Co 22 O 3.630748 0.7573
1 Co 49 Co 5.321586 -0.2300
1 Co 25 Co 5.321586 -0.2300
1 Co 33 Co 5.321586 -0.2300
1 Co 30 O 6.442175 -0.0415
1 Co 14 O 6.442175 -0.0415
1 Co 2 O 6.917913 -0.0586
1 Co 7 O 6.917913 -0.0586
1 Co 62 O 8.727932 -0.1109
1 Co 26 O 8.727932 -0.1109
1 Co 86 O 8.727932 -0.1109
1 Co 50 O 8.727932 -0.1109
1 Co 34 O 8.727932 -0.1109
1 Co 78 O 8.727932 -0.1109
1 Co 45 Co 9.370500 -0.1265
1 Co 53 Co 9.370500 -0.1265
1 Co 21 Co 9.370500 -0.1265
1 Co 13 Co 10.776156 -0.1429
2 O 2 O 0.000000 8.0439
2 O 65 Co 3.630748 0.7573
2 O 89 Co 3.630748 0.7573
2 O 57 Co 3.630748 0.7573
2 O 47 O 4.940654 0.3881
2 O 23 O 4.940654 0.3881
2 O 55 O 4.940654 0.3881
2 O 50 O 5.321586 0.8715
2 O 26 O 5.321586 0.8715
2 O 34 O 5.321586 0.8715
2 O 19 O 5.854351 0.1696
2 O 11 O 5.854351 0.1696
2 O 43 O 5.854351 0.1696
2 O 37 Co 6.442175 -0.0415
2 O 1 Co 6.917913 -0.0586
2 O 15 O 7.261497 0.2185
2 O 49 Co 8.727932 -0.1109
2 O 25 Co 8.727932 -0.1109
2 O 33 Co 8.727932 -0.1109
2 O 46 O 9.370500 -0.2751
2 O 54 O 9.370500 -0.2751
2 O 22 O 9.370500 -0.2751
2 O 14 O 10.776156 -0.2592
3 O 3 O 0.000000 8.0439
3 O 93 Co 3.630748 0.7573
3 O 101 Co 3.630748 0.7573
3 O 69 Co 3.630748 0.7573
3 O 66 O 4.940654 0.3881
3 O 90 O 4.940654 0.3881
3 O 58 O 4.940654 0.3881
3 O 51 O 5.321586 0.8715
3 O 27 O 5.321586 0.8715
3 O 35 O 5.321586 0.8715
3 O 94 O 5.854351 0.1696
3 O 102 O 5.854351 0.1696
3 O 70 O 5.854351 0.1696
3 O 105 Co 6.917913 -0.0586
3 O 38 O 7.261497 0.2185
3 O 47 O 9.370500 -0.2751
3 O 55 O 9.370500 -0.2751
3 O 23 O 9.370500 -0.2751
3 O 15 O 10.776156 -0.2592
=-------------------------------------------------------------------=
6 nearest neighbors of every atom are written to the file parameters.out
chi0 matrix :
-0.493424 0.000137 0.019910 0.000778 0.035778 -0.000012 0.000778 0.035778
-0.000012 0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012 0.076698
-0.000012 0.035778 0.076698 -0.000012 0.035778 -0.000006 0.019910 0.000137
0.000137 -0.220238 0.000211 0.035778 0.000135 0.006148 0.035778 0.000135
0.006148 -0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148 -0.000012
0.000517 -0.000077 -0.000012 0.000517 -0.000077 0.019910 -0.000060 0.045558
0.019910 0.000211 -0.220238 -0.000012 0.006148 0.000135 -0.000012 0.006148
0.000135 0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135 0.035778
-0.000077 0.000517 0.035778 -0.000077 0.000517 0.000137 0.045558 -0.000060
0.000778 0.035778 -0.000012 -0.493424 0.000137 0.019910 0.076698 -0.000012
0.035778 0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778 0.000778
0.035778 -0.000012 -0.000006 0.019910 0.000137 0.076698 -0.000012 0.035778
0.035778 0.000135 0.006148 0.000137 -0.220238 0.000211 -0.000012 0.000517
-0.000077 0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077 0.035778
0.000135 0.006148 0.019910 -0.000060 0.045558 -0.000012 0.000517 -0.000077
-0.000012 0.006148 0.000135 0.019910 0.000211 -0.220238 0.035778 -0.000077
0.000517 -0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517 -0.000012
0.006148 0.000135 0.000137 0.045558 -0.000060 0.035778 -0.000077 0.000517
0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778 -0.493424 0.000137
0.019910 0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778 -0.000006
0.019910 0.000137 0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778
0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077 0.000137 -0.220238
0.000211 0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077 0.019910
-0.000060 0.045558 0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077
-0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517 0.019910 0.000211
-0.220238 -0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517 0.000137
0.045558 -0.000060 -0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517
0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012 0.000778 0.035778
-0.000012 -0.493424 0.000137 0.019910 -0.000006 0.019910 0.000137 0.076698
-0.000012 0.035778 0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012
-0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148 0.035778 0.000135
0.006148 0.000137 -0.220238 0.000211 0.019910 -0.000060 0.045558 -0.000012
0.000517 -0.000077 -0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148
0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135 -0.000012 0.006148
0.000135 0.019910 0.000211 -0.220238 0.000137 0.045558 -0.000060 0.035778
-0.000077 0.000517 0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135
0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778 0.076698 -0.000012
0.035778 -0.000006 0.019910 0.000137 -0.493424 0.000137 0.019910 0.000778
0.035778 -0.000012 0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778
0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077 -0.000012 0.000517
-0.000077 0.019910 -0.000060 0.045558 0.000137 -0.220238 0.000211 0.035778
0.000135 0.006148 0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077
-0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517 0.035778 -0.000077
0.000517 0.000137 0.045558 -0.000060 0.019910 0.000211 -0.220238 -0.000012
0.006148 0.000135 -0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517
0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012 -0.000006 0.019910
0.000137 0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012 -0.493424
0.000137 0.019910 0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012
-0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148 0.019910 -0.000060
0.045558 -0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148 0.000137
-0.220238 0.000211 -0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148
0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135 0.000137 0.045558
-0.000060 0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135 0.019910
0.000211 -0.220238 0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135
0.076698 -0.000012 0.035778 -0.000006 0.019910 0.000137 0.000778 0.035778
-0.000012 0.076698 -0.000012 0.035778 0.000778 0.035778 -0.000012 0.076698
-0.000012 0.035778 -0.493424 0.000137 0.019910 0.000778 0.035778 -0.000012
-0.000012 0.000517 -0.000077 0.019910 -0.000060 0.045558 0.035778 0.000135
0.006148 -0.000012 0.000517 -0.000077 0.035778 0.000135 0.006148 -0.000012
0.000517 -0.000077 0.000137 -0.220238 0.000211 0.035778 0.000135 0.006148
0.035778 -0.000077 0.000517 0.000137 0.045558 -0.000060 -0.000012 0.006148
0.000135 0.035778 -0.000077 0.000517 -0.000012 0.006148 0.000135 0.035778
-0.000077 0.000517 0.019910 0.000211 -0.220238 -0.000012 0.006148 0.000135
-0.000006 0.019910 0.000137 0.076698 -0.000012 0.035778 0.076698 -0.000012
0.035778 0.000778 0.035778 -0.000012 0.076698 -0.000012 0.035778 0.000778
0.035778 -0.000012 0.000778 0.035778 -0.000012 -0.493424 0.000137 0.019910
0.019910 -0.000060 0.045558 -0.000012 0.000517 -0.000077 -0.000012 0.000517
-0.000077 0.035778 0.000135 0.006148 -0.000012 0.000517 -0.000077 0.035778
0.000135 0.006148 0.035778 0.000135 0.006148 0.000137 -0.220238 0.000211
0.000137 0.045558 -0.000060 0.035778 -0.000077 0.000517 0.035778 -0.000077
0.000517 -0.000012 0.006148 0.000135 0.035778 -0.000077 0.000517 -0.000012
0.006148 0.000135 -0.000012 0.006148 0.000135 0.019910 0.000211 -0.220238
chi matrix :
-0.099713 0.000302 0.002724 0.000053 0.010635 -0.000043 0.000053 0.010635
-0.000043 0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.004466
-0.000043 0.010635 0.004466 -0.000043 0.010635 0.000005 0.002724 0.000302
0.000302 -0.080129 0.000368 0.010635 -0.001271 0.002508 0.010635 -0.001271
0.002508 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 -0.000043
0.005051 0.001545 -0.000043 0.005051 0.001545 0.002724 -0.000982 0.006753
0.002724 0.000368 -0.080129 -0.000043 0.002508 -0.001271 -0.000043 0.002508
-0.001271 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.010635
0.001545 0.005051 0.010635 0.001545 0.005051 0.000302 0.006753 -0.000982
0.000053 0.010635 -0.000043 -0.099713 0.000302 0.002724 0.004466 -0.000043
0.010635 0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635 0.000053
0.010635 -0.000043 0.000005 0.002724 0.000302 0.004466 -0.000043 0.010635
0.010635 -0.001271 0.002508 0.000302 -0.080129 0.000368 -0.000043 0.005051
0.001545 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.010635
-0.001271 0.002508 0.002724 -0.000982 0.006753 -0.000043 0.005051 0.001545
-0.000043 0.002508 -0.001271 0.002724 0.000368 -0.080129 0.010635 0.001545
0.005051 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 -0.000043
0.002508 -0.001271 0.000302 0.006753 -0.000982 0.010635 0.001545 0.005051
0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635 -0.099713 0.000302
0.002724 0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635 0.000005
0.002724 0.000302 0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635
0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.000302 -0.080129
0.000368 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.002724
-0.000982 0.006753 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545
-0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.002724 0.000368
-0.080129 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.000302
0.006753 -0.000982 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051
0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.000053 0.010635
-0.000043 -0.099713 0.000302 0.002724 0.000005 0.002724 0.000302 0.004466
-0.000043 0.010635 0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043
-0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.010635 -0.001271
0.002508 0.000302 -0.080129 0.000368 0.002724 -0.000982 0.006753 -0.000043
0.005051 0.001545 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508
0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 -0.000043 0.002508
-0.001271 0.002724 0.000368 -0.080129 0.000302 0.006753 -0.000982 0.010635
0.001545 0.005051 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271
0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635 0.004466 -0.000043
0.010635 0.000005 0.002724 0.000302 -0.099713 0.000302 0.002724 0.000053
0.010635 -0.000043 0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635
0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 -0.000043 0.005051
0.001545 0.002724 -0.000982 0.006753 0.000302 -0.080129 0.000368 0.010635
-0.001271 0.002508 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545
-0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 0.010635 0.001545
0.005051 0.000302 0.006753 -0.000982 0.002724 0.000368 -0.080129 -0.000043
0.002508 -0.001271 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051
0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.000005 0.002724
0.000302 0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043 -0.099713
0.000302 0.002724 0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043
-0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.002724 -0.000982
0.006753 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 0.000302
-0.080129 0.000368 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508
0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.000302 0.006753
-0.000982 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.002724
0.000368 -0.080129 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271
0.004466 -0.000043 0.010635 0.000005 0.002724 0.000302 0.000053 0.010635
-0.000043 0.004466 -0.000043 0.010635 0.000053 0.010635 -0.000043 0.004466
-0.000043 0.010635 -0.099713 0.000302 0.002724 0.000053 0.010635 -0.000043
-0.000043 0.005051 0.001545 0.002724 -0.000982 0.006753 0.010635 -0.001271
0.002508 -0.000043 0.005051 0.001545 0.010635 -0.001271 0.002508 -0.000043
0.005051 0.001545 0.000302 -0.080129 0.000368 0.010635 -0.001271 0.002508
0.010635 0.001545 0.005051 0.000302 0.006753 -0.000982 -0.000043 0.002508
-0.001271 0.010635 0.001545 0.005051 -0.000043 0.002508 -0.001271 0.010635
0.001545 0.005051 0.002724 0.000368 -0.080129 -0.000043 0.002508 -0.001271
0.000005 0.002724 0.000302 0.004466 -0.000043 0.010635 0.004466 -0.000043
0.010635 0.000053 0.010635 -0.000043 0.004466 -0.000043 0.010635 0.000053
0.010635 -0.000043 0.000053 0.010635 -0.000043 -0.099713 0.000302 0.002724
0.002724 -0.000982 0.006753 -0.000043 0.005051 0.001545 -0.000043 0.005051
0.001545 0.010635 -0.001271 0.002508 -0.000043 0.005051 0.001545 0.010635
-0.001271 0.002508 0.010635 -0.001271 0.002508 0.000302 -0.080129 0.000368
0.000302 0.006753 -0.000982 0.010635 0.001545 0.005051 0.010635 0.001545
0.005051 -0.000043 0.002508 -0.001271 0.010635 0.001545 0.005051 -0.000043
0.002508 -0.001271 -0.000043 0.002508 -0.001271 0.002724 0.000368 -0.080129
chi0^{-1} matrix :
-5.968055 -0.231308 -3.706831 -0.267028 -3.861071 -0.229709 -0.267028 -3.861071
-0.229709 -4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709 -4.205454
-0.229709 -3.861071 -4.205454 -0.229709 -3.861071 -0.264435 -3.706831 -0.231308
-0.231308 -7.914627 -0.202977 -3.861071 -0.201188 -3.298634 -3.861071 -0.201188
-3.298634 -0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634 -0.229709
-3.222069 -0.198261 -0.229709 -3.222069 -0.198261 -3.706831 -0.198768 -4.147455
-3.706831 -0.202977 -7.914627 -0.229709 -3.298634 -0.201188 -0.229709 -3.298634
-0.201188 -3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188 -3.861071
-0.198261 -3.222069 -3.861071 -0.198261 -3.222069 -0.231308 -4.147455 -0.198768
-0.267028 -3.861071 -0.229709 -5.968055 -0.231308 -3.706831 -4.205454 -0.229709
-3.861071 -0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071 -0.267028
-3.861071 -0.229709 -0.264435 -3.706831 -0.231308 -4.205454 -0.229709 -3.861071
-3.861071 -0.201188 -3.298634 -0.231308 -7.914627 -0.202977 -0.229709 -3.222069
-0.198261 -3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261 -3.861071
-0.201188 -3.298634 -3.706831 -0.198768 -4.147455 -0.229709 -3.222069 -0.198261
-0.229709 -3.298634 -0.201188 -3.706831 -0.202977 -7.914627 -3.861071 -0.198261
-3.222069 -0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069 -0.229709
-3.298634 -0.201188 -0.231308 -4.147455 -0.198768 -3.861071 -0.198261 -3.222069
-0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071 -5.968055 -0.231308
-3.706831 -0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071 -0.264435
-3.706831 -0.231308 -0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071
-3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261 -0.231308 -7.914627
-0.202977 -3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261 -3.706831
-0.198768 -4.147455 -3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261
-0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069 -3.706831 -0.202977
-7.914627 -0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069 -0.231308
-4.147455 -0.198768 -0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069
-4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709 -0.267028 -3.861071
-0.229709 -5.968055 -0.231308 -3.706831 -0.264435 -3.706831 -0.231308 -4.205454
-0.229709 -3.861071 -4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709
-0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634 -3.861071 -0.201188
-3.298634 -0.231308 -7.914627 -0.202977 -3.706831 -0.198768 -4.147455 -0.229709
-3.222069 -0.198261 -0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634
-3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188 -0.229709 -3.298634
-0.201188 -3.706831 -0.202977 -7.914627 -0.231308 -4.147455 -0.198768 -3.861071
-0.198261 -3.222069 -3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188
-0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071 -4.205454 -0.229709
-3.861071 -0.264435 -3.706831 -0.231308 -5.968055 -0.231308 -3.706831 -0.267028
-3.861071 -0.229709 -0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071
-3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261 -0.229709 -3.222069
-0.198261 -3.706831 -0.198768 -4.147455 -0.231308 -7.914627 -0.202977 -3.861071
-0.201188 -3.298634 -3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261
-0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069 -3.861071 -0.198261
-3.222069 -0.231308 -4.147455 -0.198768 -3.706831 -0.202977 -7.914627 -0.229709
-3.298634 -0.201188 -0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069
-4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709 -0.264435 -3.706831
-0.231308 -4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709 -5.968055
-0.231308 -3.706831 -4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709
-0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634 -3.706831 -0.198768
-4.147455 -0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634 -0.231308
-7.914627 -0.202977 -0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634
-3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188 -0.231308 -4.147455
-0.198768 -3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188 -3.706831
-0.202977 -7.914627 -3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188
-4.205454 -0.229709 -3.861071 -0.264435 -3.706831 -0.231308 -0.267028 -3.861071
-0.229709 -4.205454 -0.229709 -3.861071 -0.267028 -3.861071 -0.229709 -4.205454
-0.229709 -3.861071 -5.968055 -0.231308 -3.706831 -0.267028 -3.861071 -0.229709
-0.229709 -3.222069 -0.198261 -3.706831 -0.198768 -4.147455 -3.861071 -0.201188
-3.298634 -0.229709 -3.222069 -0.198261 -3.861071 -0.201188 -3.298634 -0.229709
-3.222069 -0.198261 -0.231308 -7.914627 -0.202977 -3.861071 -0.201188 -3.298634
-3.861071 -0.198261 -3.222069 -0.231308 -4.147455 -0.198768 -0.229709 -3.298634
-0.201188 -3.861071 -0.198261 -3.222069 -0.229709 -3.298634 -0.201188 -3.861071
-0.198261 -3.222069 -3.706831 -0.202977 -7.914627 -0.229709 -3.298634 -0.201188
-0.264435 -3.706831 -0.231308 -4.205454 -0.229709 -3.861071 -4.205454 -0.229709
-3.861071 -0.267028 -3.861071 -0.229709 -4.205454 -0.229709 -3.861071 -0.267028
-3.861071 -0.229709 -0.267028 -3.861071 -0.229709 -5.968055 -0.231308 -3.706831
-3.706831 -0.198768 -4.147455 -0.229709 -3.222069 -0.198261 -0.229709 -3.222069
-0.198261 -3.861071 -0.201188 -3.298634 -0.229709 -3.222069 -0.198261 -3.861071
-0.201188 -3.298634 -3.861071 -0.201188 -3.298634 -0.231308 -7.914627 -0.202977
-0.231308 -4.147455 -0.198768 -3.861071 -0.198261 -3.222069 -3.861071 -0.198261
-3.222069 -0.229709 -3.298634 -0.201188 -3.861071 -0.198261 -3.222069 -0.229709
-3.298634 -0.201188 -0.229709 -3.298634 -0.201188 -3.706831 -0.202977 -7.914627
chi^{-1} matrix :
-13.719456 -0.172704 -3.665320 -0.140524 -4.618374 -0.118835 -0.140524 -4.618374
-0.118835 -3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835 -3.975477
-0.118835 -4.618374 -3.975477 -0.118835 -4.618374 -0.121521 -3.665320 -0.172704
-0.172704 -15.958542 -0.198023 -4.618374 0.073929 -3.686702 -4.618374 0.073929
-3.686702 -0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702 -0.118835
-4.093596 -0.367849 -0.118835 -4.093596 -0.367849 -3.665320 0.060449 -4.365946
-3.665320 -0.198023 -15.958542 -0.118835 -3.686702 0.073929 -0.118835 -3.686702
0.073929 -4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929 -4.618374
-0.367849 -4.093596 -4.618374 -0.367849 -4.093596 -0.172704 -4.365946 0.060449
-0.140524 -4.618374 -0.118835 -13.719456 -0.172704 -3.665320 -3.975477 -0.118835
-4.618374 -0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374 -0.140524
-4.618374 -0.118835 -0.121521 -3.665320 -0.172704 -3.975477 -0.118835 -4.618374
-4.618374 0.073929 -3.686702 -0.172704 -15.958542 -0.198023 -0.118835 -4.093596
-0.367849 -4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849 -4.618374
0.073929 -3.686702 -3.665320 0.060449 -4.365946 -0.118835 -4.093596 -0.367849
-0.118835 -3.686702 0.073929 -3.665320 -0.198023 -15.958542 -4.618374 -0.367849
-4.093596 -0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596 -0.118835
-3.686702 0.073929 -0.172704 -4.365946 0.060449 -4.618374 -0.367849 -4.093596
-0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374 -13.719456 -0.172704
-3.665320 -0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374 -0.121521
-3.665320 -0.172704 -0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374
-4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849 -0.172704 -15.958542
-0.198023 -4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849 -3.665320
0.060449 -4.365946 -4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849
-0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596 -3.665320 -0.198023
-15.958542 -0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596 -0.172704
-4.365946 0.060449 -0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596
-3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835 -0.140524 -4.618374
-0.118835 -13.719456 -0.172704 -3.665320 -0.121521 -3.665320 -0.172704 -3.975477
-0.118835 -4.618374 -3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835
-0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702 -4.618374 0.073929
-3.686702 -0.172704 -15.958542 -0.198023 -3.665320 0.060449 -4.365946 -0.118835
-4.093596 -0.367849 -0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702
-4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929 -0.118835 -3.686702
0.073929 -3.665320 -0.198023 -15.958542 -0.172704 -4.365946 0.060449 -4.618374
-0.367849 -4.093596 -4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929
-0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374 -3.975477 -0.118835
-4.618374 -0.121521 -3.665320 -0.172704 -13.719456 -0.172704 -3.665320 -0.140524
-4.618374 -0.118835 -0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374
-4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849 -0.118835 -4.093596
-0.367849 -3.665320 0.060449 -4.365946 -0.172704 -15.958542 -0.198023 -4.618374
0.073929 -3.686702 -4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849
-0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596 -4.618374 -0.367849
-4.093596 -0.172704 -4.365946 0.060449 -3.665320 -0.198023 -15.958542 -0.118835
-3.686702 0.073929 -0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596
-3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835 -0.121521 -3.665320
-0.172704 -3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835 -13.719456
-0.172704 -3.665320 -3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835
-0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702 -3.665320 0.060449
-4.365946 -0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702 -0.172704
-15.958542 -0.198023 -0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702
-4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929 -0.172704 -4.365946
0.060449 -4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929 -3.665320
-0.198023 -15.958542 -4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929
-3.975477 -0.118835 -4.618374 -0.121521 -3.665320 -0.172704 -0.140524 -4.618374
-0.118835 -3.975477 -0.118835 -4.618374 -0.140524 -4.618374 -0.118835 -3.975477
-0.118835 -4.618374 -13.719456 -0.172704 -3.665320 -0.140524 -4.618374 -0.118835
-0.118835 -4.093596 -0.367849 -3.665320 0.060449 -4.365946 -4.618374 0.073929
-3.686702 -0.118835 -4.093596 -0.367849 -4.618374 0.073929 -3.686702 -0.118835
-4.093596 -0.367849 -0.172704 -15.958542 -0.198023 -4.618374 0.073929 -3.686702
-4.618374 -0.367849 -4.093596 -0.172704 -4.365946 0.060449 -0.118835 -3.686702
0.073929 -4.618374 -0.367849 -4.093596 -0.118835 -3.686702 0.073929 -4.618374
-0.367849 -4.093596 -3.665320 -0.198023 -15.958542 -0.118835 -3.686702 0.073929
-0.121521 -3.665320 -0.172704 -3.975477 -0.118835 -4.618374 -3.975477 -0.118835
-4.618374 -0.140524 -4.618374 -0.118835 -3.975477 -0.118835 -4.618374 -0.140524
-4.618374 -0.118835 -0.140524 -4.618374 -0.118835 -13.719456 -0.172704 -3.665320
-3.665320 0.060449 -4.365946 -0.118835 -4.093596 -0.367849 -0.118835 -4.093596
-0.367849 -4.618374 0.073929 -3.686702 -0.118835 -4.093596 -0.367849 -4.618374
0.073929 -3.686702 -4.618374 0.073929 -3.686702 -0.172704 -15.958542 -0.198023
-0.172704 -4.365946 0.060449 -4.618374 -0.367849 -4.093596 -4.618374 -0.367849
-4.093596 -0.118835 -3.686702 0.073929 -4.618374 -0.367849 -4.093596 -0.118835
-3.686702 0.073929 -0.118835 -3.686702 0.073929 -3.665320 -0.198023 -15.958542
Hubbard matrix :
7.751400 -0.058604 -0.041512 -0.126504 0.757303 -0.110873 -0.126504 0.757303
-0.110873 -0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873 -0.229977
-0.110873 0.757303 -0.229977 -0.110873 0.757303 -0.142914 -0.041512 -0.058604
-0.058604 8.043915 -0.004954 0.757303 -0.275117 0.388068 0.757303 -0.275117
0.388068 -0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068 -0.110873
0.871527 0.169587 -0.110873 0.871527 0.169587 -0.041512 -0.259217 0.218491
-0.041512 -0.004954 8.043915 -0.110873 0.388068 -0.275117 -0.110873 0.388068
-0.275117 0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117 0.757303
0.169587 0.871527 0.757303 0.169587 0.871527 -0.058604 0.218491 -0.259217
-0.126504 0.757303 -0.110873 7.751400 -0.058604 -0.041512 -0.229977 -0.110873
0.757303 -0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303 -0.126504
0.757303 -0.110873 -0.142914 -0.041512 -0.058604 -0.229977 -0.110873 0.757303
0.757303 -0.275117 0.388068 -0.058604 8.043915 -0.004954 -0.110873 0.871527
0.169587 0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587 0.757303
-0.275117 0.388068 -0.041512 -0.259217 0.218491 -0.110873 0.871527 0.169587
-0.110873 0.388068 -0.275117 -0.041512 -0.004954 8.043915 0.757303 0.169587
0.871527 -0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527 -0.110873
0.388068 -0.275117 -0.058604 0.218491 -0.259217 0.757303 0.169587 0.871527
-0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303 7.751400 -0.058604
-0.041512 -0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303 -0.142914
-0.041512 -0.058604 -0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303
0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587 -0.058604 8.043915
-0.004954 0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587 -0.041512
-0.259217 0.218491 0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587
-0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527 -0.041512 -0.004954
8.043915 -0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527 -0.058604
0.218491 -0.259217 -0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527
-0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873 -0.126504 0.757303
-0.110873 7.751400 -0.058604 -0.041512 -0.142914 -0.041512 -0.058604 -0.229977
-0.110873 0.757303 -0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873
-0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068 0.757303 -0.275117
0.388068 -0.058604 8.043915 -0.004954 -0.041512 -0.259217 0.218491 -0.110873
0.871527 0.169587 -0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068
0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117 -0.110873 0.388068
-0.275117 -0.041512 -0.004954 8.043915 -0.058604 0.218491 -0.259217 0.757303
0.169587 0.871527 0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117
-0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303 -0.229977 -0.110873
0.757303 -0.142914 -0.041512 -0.058604 7.751400 -0.058604 -0.041512 -0.126504
0.757303 -0.110873 -0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303
0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587 -0.110873 0.871527
0.169587 -0.041512 -0.259217 0.218491 -0.058604 8.043915 -0.004954 0.757303
-0.275117 0.388068 0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587
-0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527 0.757303 0.169587
0.871527 -0.058604 0.218491 -0.259217 -0.041512 -0.004954 8.043915 -0.110873
0.388068 -0.275117 -0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527
-0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873 -0.142914 -0.041512
-0.058604 -0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873 7.751400
-0.058604 -0.041512 -0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873
-0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068 -0.041512 -0.259217
0.218491 -0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068 -0.058604
8.043915 -0.004954 -0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068
0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117 -0.058604 0.218491
-0.259217 0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117 -0.041512
-0.004954 8.043915 0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117
-0.229977 -0.110873 0.757303 -0.142914 -0.041512 -0.058604 -0.126504 0.757303
-0.110873 -0.229977 -0.110873 0.757303 -0.126504 0.757303 -0.110873 -0.229977
-0.110873 0.757303 7.751400 -0.058604 -0.041512 -0.126504 0.757303 -0.110873
-0.110873 0.871527 0.169587 -0.041512 -0.259217 0.218491 0.757303 -0.275117
0.388068 -0.110873 0.871527 0.169587 0.757303 -0.275117 0.388068 -0.110873
0.871527 0.169587 -0.058604 8.043915 -0.004954 0.757303 -0.275117 0.388068
0.757303 0.169587 0.871527 -0.058604 0.218491 -0.259217 -0.110873 0.388068
-0.275117 0.757303 0.169587 0.871527 -0.110873 0.388068 -0.275117 0.757303
0.169587 0.871527 -0.041512 -0.004954 8.043915 -0.110873 0.388068 -0.275117
-0.142914 -0.041512 -0.058604 -0.229977 -0.110873 0.757303 -0.229977 -0.110873
0.757303 -0.126504 0.757303 -0.110873 -0.229977 -0.110873 0.757303 -0.126504
0.757303 -0.110873 -0.126504 0.757303 -0.110873 7.751400 -0.058604 -0.041512
-0.041512 -0.259217 0.218491 -0.110873 0.871527 0.169587 -0.110873 0.871527
0.169587 0.757303 -0.275117 0.388068 -0.110873 0.871527 0.169587 0.757303
-0.275117 0.388068 0.757303 -0.275117 0.388068 -0.058604 8.043915 -0.004954
-0.058604 0.218491 -0.259217 0.757303 0.169587 0.871527 0.757303 0.169587
0.871527 -0.110873 0.388068 -0.275117 0.757303 0.169587 0.871527 -0.110873
0.388068 -0.275117 -0.110873 0.388068 -0.275117 -0.041512 -0.004954 8.043915
|
