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
|
Cavansite Feff 8.00
Evans H T
American Mineralogist 58 (1973) 412-424
The crystal structures of cavansite and pentagonite
Abs Z=23 Rmt= 1.142 Rnm= 1.322 K shell
Pot 1 Z=20 Rmt= 1.655 Rnm= 1.728
Pot 2 Z=23 Rmt= 1.147 Rnm= 1.333
Pot 3 Z=14 Rmt= 0.980 Rnm= 1.202
Pot 4 Z= 8 Rmt= 0.828 Rnm= 1.082
Gam_ch=9.908E-01 H-L exch
Mu=-5.272E+00 kf=2.321E+00 Vint=-1.595E+01 Rs_int= 1.563
S02 1.000 Global sig2 0.00000
Curved wave amplitude ratio filter 4.000%
file sig2 tot cw amp ratio deg nlegs reff inp sig2
0/ 0 paths used
xsedge+ 50, used to normalize mu 4.2721E-04
-----------------------------------------------------------------------
e, e(wrt edge), k, mu=(1+chi)*mu0, mu0, chi @#
5460.850 -12.740 -1.400 1.45815E-02 1.81901E-02 -3.60858E-03
5462.269 -11.321 -1.260 1.73989E-02 2.20878E-02 -4.68892E-03
5463.539 -10.051 -1.120 2.12200E-02 2.73858E-02 -6.16584E-03
5464.659 -8.931 -0.980 2.66198E-02 3.48672E-02 -8.24743E-03
5465.629 -7.960 -0.840 3.46098E-02 4.59520E-02 -1.13422E-02
5466.451 -7.139 -0.700 4.70175E-02 6.33932E-02 -1.63757E-02
5467.123 -6.467 -0.560 6.71502E-02 9.28068E-02 -2.56567E-02
5467.646 -5.944 -0.420 1.00364E-01 1.44887E-01 -4.45224E-02
5468.019 -5.571 -0.280 1.49883E-01 2.28129E-01 -7.82465E-02
5468.243 -5.347 -0.140 1.99325E-01 3.10861E-01 -1.11537E-01
5468.318 -5.272 0.000 2.19697E-01 3.42411E-01 -1.22714E-01
5468.565 -5.024 0.255 2.93154E-01 4.41786E-01 -1.48633E-01
5468.813 -4.777 0.361 3.73451E-01 5.14259E-01 -1.40808E-01
5469.061 -4.529 0.442 4.62446E-01 5.62492E-01 -1.00045E-01
5469.233 -4.357 0.490 5.30046E-01 5.87090E-01 -5.70436E-02
5469.513 -4.077 0.560 6.41627E-01 6.18094E-01 2.35329E-02
5469.830 -3.760 0.630 7.31353E-01 6.45238E-01 8.61150E-02
5470.185 -3.405 0.700 7.30080E-01 6.69864E-01 6.02157E-02
5470.577 -3.013 0.770 6.29967E-01 6.92953E-01 -6.29860E-02
5471.006 -2.584 0.840 5.03039E-01 7.15171E-01 -2.12132E-01
5471.473 -2.117 0.910 4.01355E-01 7.36874E-01 -3.35519E-01
5471.977 -1.613 0.980 3.33421E-01 7.58280E-01 -4.24859E-01
5472.518 -1.072 1.050 2.91946E-01 7.79497E-01 -4.87551E-01
5473.097 -0.493 1.120 2.69386E-01 8.00515E-01 -5.31130E-01
5473.713 0.123 1.190 2.62441E-01 8.21344E-01 -5.58903E-01
5474.367 0.777 1.260 2.72406E-01 8.41865E-01 -5.69459E-01
5475.057 1.467 1.330 3.03180E-01 8.62006E-01 -5.58825E-01
5475.785 2.196 1.400 3.56148E-01 8.81676E-01 -5.25528E-01
5476.551 2.961 1.470 4.22801E-01 9.00751E-01 -4.77951E-01
5477.354 3.764 1.540 4.88602E-01 9.19096E-01 -4.30495E-01
5478.194 4.604 1.610 5.51576E-01 9.36593E-01 -3.85017E-01
5479.071 5.481 1.680 6.18744E-01 9.53166E-01 -3.34422E-01
5479.986 6.396 1.750 6.92114E-01 9.68711E-01 -2.76597E-01
5480.938 7.348 1.820 7.68299E-01 9.83123E-01 -2.14824E-01
5481.927 8.338 1.890 8.43908E-01 9.96316E-01 -1.52407E-01
5482.954 9.364 1.960 9.19603E-01 1.00827E+00 -8.86701E-02
5484.018 10.429 2.030 9.98810E-01 1.01891E+00 -2.00979E-02
5485.120 11.530 2.100 1.08305E+00 1.02822E+00 5.48290E-02
5486.259 12.669 2.170 1.16850E+00 1.03620E+00 1.32296E-01
5487.435 13.845 2.240 1.24513E+00 1.04284E+00 2.02292E-01
5488.648 15.058 2.310 1.30094E+00 1.04817E+00 2.52766E-01
5489.899 16.309 2.380 1.33023E+00 1.05222E+00 2.78011E-01
5491.187 17.597 2.450 1.33630E+00 1.05506E+00 2.81247E-01
5492.513 18.923 2.520 1.32465E+00 1.05673E+00 2.67917E-01
5493.876 20.286 2.590 1.29673E+00 1.05731E+00 2.39419E-01
5495.276 21.686 2.660 1.25428E+00 1.05687E+00 1.97410E-01
5496.713 23.123 2.730 1.19966E+00 1.05553E+00 1.44131E-01
5498.188 24.598 2.800 1.14937E+00 1.05333E+00 9.60379E-02
5499.700 26.110 2.870 1.11256E+00 1.05042E+00 6.21438E-02
5501.250 27.660 2.940 1.08443E+00 1.04684E+00 3.75880E-02
5502.837 29.247 3.010 1.06213E+00 1.04274E+00 1.93892E-02
5504.461 30.871 3.080 1.04429E+00 1.03818E+00 6.10472E-03
5506.122 32.533 3.150 1.02968E+00 1.03324E+00 -3.56318E-03
5507.821 34.231 3.220 1.01729E+00 1.02804E+00 -1.07472E-02
5509.557 35.968 3.290 1.00622E+00 1.02266E+00 -1.64338E-02
5511.331 37.741 3.360 9.95826E-01 1.01713E+00 -2.13044E-02
5513.142 39.552 3.430 9.85469E-01 1.01157E+00 -2.61044E-02
5514.990 41.400 3.500 9.74910E-01 1.00606E+00 -3.11462E-02
5516.876 43.286 3.570 9.64244E-01 1.00060E+00 -3.63586E-02
5518.799 45.209 3.640 9.53955E-01 9.95284E-01 -4.13293E-02
5520.759 47.169 3.710 9.44672E-01 9.90170E-01 -4.54977E-02
5522.756 49.167 3.780 9.36921E-01 9.85284E-01 -4.83626E-02
5524.791 51.201 3.850 9.31201E-01 9.80674E-01 -4.94731E-02
5526.864 53.274 3.920 9.27792E-01 9.76363E-01 -4.85709E-02
5528.973 55.383 3.990 9.26860E-01 9.72375E-01 -4.55142E-02
|
