-
Notifications
You must be signed in to change notification settings - Fork 835
/
ldos01.dat
112 lines (112 loc) · 7.12 KB
/
ldos01.dat
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
# Fermi level (eV): -11.430
# Charge transfer : 0.135
# Electron counts for each orbital momentum:
# 0 0.472
# 1 0.679
# 2 7.720
# 3 0.000
# Number of atoms in cluster: 204
# Lorentzian broadening with HWHH 0.1000 eV
# -----------------------------------------------------------------------
# e sDOS pDOS dDOS fDOS @#
-30.0000 7.116815E-03 1.755675E-02 1.601818E-02 4.929064E-03
-29.5500 2.162163E-03 4.399019E-03 4.710420E-03 1.390847E-03
-29.1000 1.134732E-03 2.178695E-03 2.875155E-03 7.469598E-04
-28.6500 7.560391E-04 1.422244E-03 2.298860E-03 5.207419E-04
-28.2000 5.791068E-04 1.080523E-03 2.081896E-03 4.171195E-04
-27.7500 4.865377E-04 9.023029E-04 2.010585E-03 3.628653E-04
-27.3000 4.364427E-04 8.027078E-04 2.013749E-03 3.327730E-04
-26.8500 4.109846E-04 7.466039E-04 2.062522E-03 3.159557E-04
-26.4000 4.017810E-04 7.177330E-04 2.144795E-03 3.077433E-04
-25.9500 4.046720E-04 7.076830E-04 2.254872E-03 3.051489E-04
-25.5000 4.178870E-04 7.124759E-04 2.391562E-03 3.069829E-04
-25.0500 4.411251E-04 7.304625E-04 2.556494E-03 3.130768E-04
-24.6000 4.751176E-04 7.613058E-04 2.752306E-03 3.227235E-04
-24.1500 5.219426E-04 8.063101E-04 2.984166E-03 3.359230E-04
-23.7000 5.855812E-04 8.691866E-04 3.262573E-03 3.550818E-04
-23.2500 6.718762E-04 9.540848E-04 3.596898E-03 3.790827E-04
-22.8000 7.920698E-04 1.071588E-03 4.010175E-03 4.129328E-04
-22.3500 9.650199E-04 1.237187E-03 4.531435E-03 4.588790E-04
-21.9000 1.228200E-03 1.483371E-03 5.222271E-03 5.290917E-04
-21.4500 1.661095E-03 1.872630E-03 6.179784E-03 6.318769E-04
-21.0000 2.474734E-03 2.584556E-03 7.720830E-03 8.437708E-04
-20.5500 4.372182E-03 4.157315E-03 1.060660E-02 1.268521E-03
-20.1000 1.127131E-02 9.674589E-03 1.952730E-02 2.868647E-03
-19.6500 1.190774E-01 9.282390E-02 1.421715E-01 2.725624E-02
-19.2000 3.270550E-02 2.737123E-02 5.114316E-02 9.667698E-03
-18.7500 -3.518257E-02 -1.621426E-01 -2.848391E-01 -1.261209E-02
-18.3000 1.978791E-01 1.558439E-01 3.080573E-01 3.038233E-02
-17.8500 9.367727E-02 9.260337E-02 1.844771E-01 1.975151E-02
-17.4000 7.282877E-02 9.957417E-02 2.415091E-01 2.752210E-02
-16.9500 8.158183E-02 2.156450E-01 6.250363E-01 5.224135E-02
-16.5000 7.500276E-02 2.122721E-01 6.567917E-01 6.788529E-02
-16.0500 8.189257E-03 2.016898E-02 7.996791E-02 6.469582E-03
-15.6000 3.702817E-03 7.599242E-03 4.413459E-02 2.424721E-03
-15.1500 2.526512E-03 4.753793E-03 4.339023E-02 1.550861E-03
-14.7000 2.101125E-03 3.824940E-03 5.439545E-02 1.268724E-03
-14.2500 2.046629E-03 3.792087E-03 8.185179E-02 1.249640E-03
-13.8000 2.409733E-03 5.035065E-03 1.611263E-01 1.542104E-03
-13.3500 4.606904E-03 1.753273E-02 7.986912E-01 3.522902E-03
-12.9000 1.634634E-02 6.292740E-02 2.747610E+00 1.476344E-02
-12.4500 2.811191E-02 5.152743E-02 4.477478E+00 2.188876E-02
-12.0000 5.384136E-02 6.088777E-02 3.045331E+00 2.837072E-02
-11.5500 3.652753E-02 1.020592E-01 3.138874E+00 2.110460E-02
-11.1000 2.558434E-02 1.063188E-01 2.288866E+00 2.547775E-02
-10.6500 1.379346E-02 4.163051E-02 8.168924E-01 1.736936E-02
-10.2000 2.286799E-02 2.004114E-02 2.320544E-01 9.907144E-03
-9.7500 3.695933E-02 1.885927E-02 1.174319E-01 1.221724E-02
-9.3000 4.421692E-02 2.079010E-02 8.282977E-02 1.419238E-02
-8.8500 4.291563E-02 2.730692E-02 7.322308E-02 1.310417E-02
-8.4000 4.268683E-02 3.927524E-02 7.911108E-02 1.248999E-02
-7.9500 5.088787E-02 5.587834E-02 9.440856E-02 1.424576E-02
-7.5000 5.759133E-02 7.025273E-02 1.082824E-01 1.661622E-02
-7.0500 4.746110E-02 6.338782E-02 9.997626E-02 1.641422E-02
-6.6000 4.364218E-02 5.566242E-02 1.038172E-01 1.591054E-02
-6.1500 4.941362E-02 6.558556E-02 1.356690E-01 1.700397E-02
-5.7000 6.408558E-02 5.431863E-02 1.014448E-01 1.657711E-02
-5.2500 1.005531E-01 5.396409E-02 7.453519E-02 1.978579E-02
-4.8000 1.277585E-01 8.223460E-02 7.976731E-02 2.549678E-02
-4.3500 1.452944E-01 1.249211E-01 1.046699E-01 3.169044E-02
-3.9000 1.064397E-01 1.075979E-01 1.069802E-01 2.844630E-02
-3.4500 8.287667E-02 8.283551E-02 7.523941E-02 2.086925E-02
-3.0000 9.527621E-02 7.742684E-02 5.992130E-02 1.987652E-02
-2.5500 1.296513E-01 9.220471E-02 6.114351E-02 2.406279E-02
-2.1000 1.639619E-01 1.347473E-01 8.558730E-02 3.171638E-02
-1.6500 1.673826E-01 1.871223E-01 1.117913E-01 3.518372E-02
-1.2000 1.171405E-01 1.830405E-01 9.830224E-02 3.211549E-02
-0.7500 8.295777E-02 1.804059E-01 8.751623E-02 2.936838E-02
-0.3000 5.748979E-02 2.088179E-01 9.009294E-02 3.163252E-02
0.1500 4.122245E-02 2.628720E-01 9.736932E-02 3.734319E-02
0.6000 3.329571E-02 3.013406E-01 9.230525E-02 4.110590E-02
1.0500 2.986420E-02 2.840815E-01 7.674504E-02 3.797710E-02
1.5000 2.841264E-02 2.257341E-01 6.058999E-02 2.956444E-02
1.9500 2.763925E-02 1.950057E-01 5.188717E-02 2.454778E-02
2.4000 2.689569E-02 2.002062E-01 5.020870E-02 2.342964E-02
2.8500 2.567492E-02 2.383022E-01 5.395427E-02 2.425239E-02
3.3000 2.353672E-02 2.697429E-01 5.993243E-02 2.529539E-02
3.7500 2.109210E-02 2.347020E-01 6.468831E-02 2.624674E-02
4.2000 1.957052E-02 1.810895E-01 6.937914E-02 2.731818E-02
4.6500 1.904628E-02 1.460176E-01 7.446553E-02 2.856046E-02
5.1000 1.976426E-02 1.270958E-01 7.990076E-02 3.051980E-02
5.5500 2.221988E-02 1.179482E-01 8.695571E-02 3.370233E-02
6.0000 2.676741E-02 1.143487E-01 9.805749E-02 3.849227E-02
6.4500 3.321801E-02 1.139522E-01 1.153135E-01 4.529964E-02
6.9000 3.974976E-02 1.163097E-01 1.362323E-01 5.400739E-02
7.3500 4.259353E-02 1.233521E-01 1.501525E-01 6.258700E-02
7.8000 3.974890E-02 1.401325E-01 1.584303E-01 6.975230E-02
8.2500 3.350071E-02 1.661117E-01 1.759600E-01 7.829262E-02
8.7000 2.680540E-02 1.678821E-01 1.860579E-01 8.216280E-02
9.1500 2.328769E-02 1.586544E-01 1.788032E-01 8.039154E-02
9.6000 2.187540E-02 1.375906E-01 1.642847E-01 7.612189E-02
10.0500 2.098104E-02 1.158426E-01 1.582018E-01 7.758150E-02
10.5000 2.093249E-02 1.028509E-01 1.695512E-01 8.761857E-02
10.9500 2.251834E-02 9.825470E-02 1.841196E-01 1.066832E-01
11.4000 2.577431E-02 1.002641E-01 1.965380E-01 1.431601E-01
11.8500 2.932893E-02 1.123488E-01 2.007768E-01 1.911139E-01
12.3000 3.059621E-02 1.282096E-01 1.952550E-01 2.193462E-01
12.7500 2.944291E-02 1.354502E-01 1.744982E-01 1.876387E-01
13.2000 3.022152E-02 1.432210E-01 1.587280E-01 1.610545E-01
13.6500 3.029179E-02 1.506093E-01 1.565544E-01 1.563360E-01
14.1000 2.990374E-02 1.546950E-01 1.663439E-01 1.623646E-01
14.5500 3.138790E-02 1.538839E-01 1.780799E-01 1.675579E-01
15.0000 3.309357E-02 1.476933E-01 1.791080E-01 1.716507E-01