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![AlynJ](/assets/img/avatar_default.png)
Adding Elk-TRIQS interface (first iteration) This interface reads in Elk's ground-state files / projectors generated by a specific Elk interface code version (https://github.com/AlynJ/Elk_interface-TRIQS). The interface can perform charge-self consistent DFT+DMFT calculations using the aforementioned Elk code version, including spin orbit-coupling. Hence, this is the first open source interfaced DFT code to triqs with FCSC support. The commit includes detailed documentation and tutorials on how to use this interface. Moreover, further new post-processing routines are added for Fermi surface plots and spectral functions (A(w)) from the elk inputs. The interface was tested by A. James and A. Hampel. However, this is the first iteration of the interface and should be used with care. Please report all bugs. List of changes: --------------- - sumk.py: added cacluation of charge density correction for elk (dm_type='elk'). - sumk_dft_tools.py: added new post-processing functions to calculate the Fermi surface and A(w) from the Elk inputs. - documentation and tutorial files amended for this interface. - added python tests for the Elk converter.
5861 lines
244 KiB
Plaintext
5861 lines
244 KiB
Plaintext
29 : nkpt
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198 : nstsv
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191 0.9369705939 0.000000000
|
|
192 0.9369707122 0.000000000
|
|
193 1.005550481 0.000000000
|
|
194 1.005550594 0.000000000
|
|
195 1.007885908 0.000000000
|
|
196 1.007886095 0.000000000
|
|
197 1.010792825 0.000000000
|
|
198 1.010793233 0.000000000
|
|
|
|
|
|
3 0.2500000000 0.000000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352465 1.000000000
|
|
2 -2.763352461 1.000000000
|
|
3 -2.763352428 1.000000000
|
|
4 -2.763352423 1.000000000
|
|
5 -2.763348762 1.000000000
|
|
6 -2.763348756 1.000000000
|
|
7 -2.763348612 1.000000000
|
|
8 -2.763348609 1.000000000
|
|
9 -2.669478763 1.000000000
|
|
10 -2.669478757 1.000000000
|
|
11 -2.669477924 1.000000000
|
|
12 -2.669477918 1.000000000
|
|
13 -2.669477087 1.000000000
|
|
14 -2.669477084 1.000000000
|
|
15 -2.669476205 1.000000000
|
|
16 -2.669476202 1.000000000
|
|
17 -2.669438589 1.000000000
|
|
18 -2.669438586 1.000000000
|
|
19 -2.669433926 1.000000000
|
|
20 -2.669433923 1.000000000
|
|
21 -1.909411699 1.000000000
|
|
22 -1.909411679 1.000000000
|
|
23 -1.909405963 1.000000000
|
|
24 -1.909405956 1.000000000
|
|
25 -1.905818093 1.000000000
|
|
26 -1.905818083 1.000000000
|
|
27 -1.851168224 1.000000000
|
|
28 -1.851168161 1.000000000
|
|
29 -1.795947947 1.000000000
|
|
30 -1.795947923 1.000000000
|
|
31 -1.794094735 1.000000000
|
|
32 -1.794094731 1.000000000
|
|
33 -1.794092993 1.000000000
|
|
34 -1.794092981 1.000000000
|
|
35 -1.790800167 1.000000000
|
|
36 -1.790800144 1.000000000
|
|
37 -1.415294283 1.000000000
|
|
38 -1.415294190 1.000000000
|
|
39 -1.415211891 1.000000000
|
|
40 -1.415211724 1.000000000
|
|
41 -1.189026984 1.000000000
|
|
42 -1.189026981 1.000000000
|
|
43 -0.6665974851 1.000000000
|
|
44 -0.6665974846 1.000000000
|
|
45 -0.6627514227 1.000000000
|
|
46 -0.6627514219 1.000000000
|
|
47 -0.5088291042 1.000000000
|
|
48 -0.5088290391 1.000000000
|
|
49 -0.4656157238 1.000000000
|
|
50 -0.4656155682 1.000000000
|
|
51 -0.4650086998 1.000000000
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|
52 -0.4650084270 1.000000000
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|
53 -0.3627670223 1.000000000
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|
54 -0.3627669877 1.000000000
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55 -0.3420095643 1.000000000
|
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56 -0.3420095280 1.000000000
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57 -0.3406716288 1.000000000
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58 -0.3406715961 1.000000000
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59 -0.3248598680 1.000000000
|
|
60 -0.3248598321 1.000000000
|
|
61 -0.3148469414 1.000000000
|
|
62 -0.3148469166 1.000000000
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63 -0.3115122395 1.000000000
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64 -0.3115122130 1.000000000
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65 -0.1759150851 1.000000000
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66 -0.1759149819 1.000000000
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|
67 -0.1650188276 1.000000000
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|
68 -0.1650187234 1.000000000
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69 -0.1140330885 1.000000000
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70 -0.1140328776 1.000000000
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71 -0.1086077407 1.000000000
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72 -0.1086076193 1.000000000
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73 -0.9685507348E-01 1.000000000
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75 -0.9293915460E-01 1.000000000
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76 -0.9293902704E-01 1.000000000
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77 0.6667555761E-01 1.000000000
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78 0.6667576035E-01 1.000000000
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79 0.6736763903E-01 1.000000000
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80 0.6736766473E-01 1.000000000
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81 0.8361454041E-01 1.000000000
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82 0.8361462921E-01 1.000000000
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83 0.1021469105 1.000000000
|
|
84 0.1021470661 1.000000000
|
|
85 0.1097055236 1.000000000
|
|
86 0.1097056769 1.000000000
|
|
87 0.1103332186 1.000000000
|
|
88 0.1103333210 1.000000000
|
|
89 0.1474860961 1.000000000
|
|
90 0.1474862005 1.000000000
|
|
91 0.1626826067 1.000000000
|
|
92 0.1626826545 1.000000000
|
|
93 0.1678516176 1.000000000
|
|
94 0.1678517278 1.000000000
|
|
95 0.1938911894 1.000000000
|
|
96 0.1938912122 1.000000000
|
|
97 0.1949778169 1.000000000
|
|
98 0.1949778387 1.000000000
|
|
99 0.2055579455 1.000000000
|
|
100 0.2055580162 1.000000000
|
|
101 0.2161599994 1.000000000
|
|
102 0.2161600275 1.000000000
|
|
103 0.2230880145 1.000000000
|
|
104 0.2230880943 1.000000000
|
|
105 0.2258725268 1.000000000
|
|
106 0.2258726056 1.000000000
|
|
107 0.2394044238 1.000000000
|
|
108 0.2394044511 1.000000000
|
|
109 0.2399911787 1.000000000
|
|
110 0.2399911985 1.000000000
|
|
111 0.2445656001 1.000000000
|
|
112 0.2445656348 1.000000000
|
|
113 0.2795829788 0.9999999979
|
|
114 0.2795831375 0.9999999979
|
|
115 0.2852682307 0.9999993844
|
|
116 0.2852683019 0.9999993843
|
|
117 0.2981800025 0.8004097561
|
|
118 0.2981801211 0.8003908195
|
|
119 0.4323521104 0.000000000
|
|
120 0.4323522561 0.000000000
|
|
121 0.4334914005 0.000000000
|
|
122 0.4334915291 0.000000000
|
|
123 0.4513133989 0.000000000
|
|
124 0.4513134884 0.000000000
|
|
125 0.4518607834 0.000000000
|
|
126 0.4518609347 0.000000000
|
|
127 0.4695927582 0.000000000
|
|
128 0.4695928746 0.000000000
|
|
129 0.4734911396 0.000000000
|
|
130 0.4734912083 0.000000000
|
|
131 0.4752654536 0.000000000
|
|
132 0.4752655483 0.000000000
|
|
133 0.4935822984 0.000000000
|
|
134 0.4935823796 0.000000000
|
|
135 0.5058010389 0.000000000
|
|
136 0.5058011670 0.000000000
|
|
137 0.5069837906 0.000000000
|
|
138 0.5069839086 0.000000000
|
|
139 0.5152782948 0.000000000
|
|
140 0.5152783359 0.000000000
|
|
141 0.5713792216 0.000000000
|
|
142 0.5713792876 0.000000000
|
|
143 0.5734648256 0.000000000
|
|
144 0.5734651583 0.000000000
|
|
145 0.5745938091 0.000000000
|
|
146 0.5745940352 0.000000000
|
|
147 0.5933055291 0.000000000
|
|
148 0.5933057190 0.000000000
|
|
149 0.5955410221 0.000000000
|
|
150 0.5955410893 0.000000000
|
|
151 0.6594412595 0.000000000
|
|
152 0.6594413621 0.000000000
|
|
153 0.6700000440 0.000000000
|
|
154 0.6700004655 0.000000000
|
|
155 0.6717246004 0.000000000
|
|
156 0.6717247716 0.000000000
|
|
157 0.7054700107 0.000000000
|
|
158 0.7054700354 0.000000000
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|
159 0.7377771965 0.000000000
|
|
160 0.7377773110 0.000000000
|
|
161 0.7472486249 0.000000000
|
|
162 0.7472487396 0.000000000
|
|
163 0.7620994828 0.000000000
|
|
164 0.7620996054 0.000000000
|
|
165 0.7669909017 0.000000000
|
|
166 0.7669913124 0.000000000
|
|
167 0.7943213441 0.000000000
|
|
168 0.7943213996 0.000000000
|
|
169 0.8051863595 0.000000000
|
|
170 0.8051867765 0.000000000
|
|
171 0.8109870231 0.000000000
|
|
172 0.8109871351 0.000000000
|
|
173 0.8381885199 0.000000000
|
|
174 0.8381886468 0.000000000
|
|
175 0.8496644065 0.000000000
|
|
176 0.8496644987 0.000000000
|
|
177 0.8581126388 0.000000000
|
|
178 0.8581128660 0.000000000
|
|
179 0.8826579766 0.000000000
|
|
180 0.8826580991 0.000000000
|
|
181 0.9037178756 0.000000000
|
|
182 0.9037182602 0.000000000
|
|
183 0.9049760855 0.000000000
|
|
184 0.9049766901 0.000000000
|
|
185 0.9118862602 0.000000000
|
|
186 0.9118864768 0.000000000
|
|
187 0.9280314983 0.000000000
|
|
188 0.9280316503 0.000000000
|
|
189 0.9336175314 0.000000000
|
|
190 0.9336177772 0.000000000
|
|
191 0.9351970239 0.000000000
|
|
192 0.9351971363 0.000000000
|
|
193 0.9544948553 0.000000000
|
|
194 0.9544949281 0.000000000
|
|
195 0.9591542850 0.000000000
|
|
196 0.9591548431 0.000000000
|
|
197 1.008693360 0.000000000
|
|
198 1.008693654 0.000000000
|
|
|
|
|
|
4 0.3750000000 0.000000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352715 1.000000000
|
|
2 -2.763352709 1.000000000
|
|
3 -2.763350301 1.000000000
|
|
4 -2.763350298 1.000000000
|
|
5 -2.763347996 1.000000000
|
|
6 -2.763347990 1.000000000
|
|
7 -2.763346976 1.000000000
|
|
8 -2.763346973 1.000000000
|
|
9 -2.669478930 1.000000000
|
|
10 -2.669478923 1.000000000
|
|
11 -2.669477342 1.000000000
|
|
12 -2.669477335 1.000000000
|
|
13 -2.669476139 1.000000000
|
|
14 -2.669476136 1.000000000
|
|
15 -2.669475588 1.000000000
|
|
16 -2.669475584 1.000000000
|
|
17 -2.669437577 1.000000000
|
|
18 -2.669437574 1.000000000
|
|
19 -2.669433997 1.000000000
|
|
20 -2.669433995 1.000000000
|
|
21 -1.909409535 1.000000000
|
|
22 -1.909409515 1.000000000
|
|
23 -1.909406455 1.000000000
|
|
24 -1.909406447 1.000000000
|
|
25 -1.905814491 1.000000000
|
|
26 -1.905814481 1.000000000
|
|
27 -1.850556699 1.000000000
|
|
28 -1.850556637 1.000000000
|
|
29 -1.795947952 1.000000000
|
|
30 -1.795947928 1.000000000
|
|
31 -1.794092833 1.000000000
|
|
32 -1.794092829 1.000000000
|
|
33 -1.794091641 1.000000000
|
|
34 -1.794091628 1.000000000
|
|
35 -1.790796145 1.000000000
|
|
36 -1.790796121 1.000000000
|
|
37 -1.415100379 1.000000000
|
|
38 -1.415100289 1.000000000
|
|
39 -1.415058323 1.000000000
|
|
40 -1.415058157 1.000000000
|
|
41 -1.189025429 1.000000000
|
|
42 -1.189025427 1.000000000
|
|
43 -0.6656687816 1.000000000
|
|
44 -0.6656687810 1.000000000
|
|
45 -0.6635593906 1.000000000
|
|
46 -0.6635593900 1.000000000
|
|
47 -0.5089745434 1.000000000
|
|
48 -0.5089744790 1.000000000
|
|
49 -0.4664163714 1.000000000
|
|
50 -0.4664162183 1.000000000
|
|
51 -0.4653482589 1.000000000
|
|
52 -0.4653479880 1.000000000
|
|
53 -0.3557663239 1.000000000
|
|
54 -0.3557662938 1.000000000
|
|
55 -0.3384176898 1.000000000
|
|
56 -0.3384176541 1.000000000
|
|
57 -0.3355760518 1.000000000
|
|
58 -0.3355760271 1.000000000
|
|
59 -0.3329292387 1.000000000
|
|
60 -0.3329291951 1.000000000
|
|
61 -0.3218857392 1.000000000
|
|
62 -0.3218857193 1.000000000
|
|
63 -0.3173218043 1.000000000
|
|
64 -0.3173217832 1.000000000
|
|
65 -0.1709802180 1.000000000
|
|
66 -0.1709801088 1.000000000
|
|
67 -0.1652059804 1.000000000
|
|
68 -0.1652058713 1.000000000
|
|
69 -0.1085368924 1.000000000
|
|
70 -0.1085366861 1.000000000
|
|
71 -0.9918791203E-01 1.000000000
|
|
72 -0.9918779496E-01 1.000000000
|
|
73 -0.9895532698E-01 1.000000000
|
|
74 -0.9895510604E-01 1.000000000
|
|
75 -0.9131713812E-01 1.000000000
|
|
76 -0.9131700815E-01 1.000000000
|
|
77 0.7484139687E-01 1.000000000
|
|
78 0.7484159224E-01 1.000000000
|
|
79 0.7665094011E-01 1.000000000
|
|
80 0.7665101585E-01 1.000000000
|
|
81 0.9247936624E-01 1.000000000
|
|
82 0.9247943948E-01 1.000000000
|
|
83 0.1019036454 1.000000000
|
|
84 0.1019037360 1.000000000
|
|
85 0.1083652089 1.000000000
|
|
86 0.1083653966 1.000000000
|
|
87 0.1094412536 1.000000000
|
|
88 0.1094413488 1.000000000
|
|
89 0.1336054969 1.000000000
|
|
90 0.1336056346 1.000000000
|
|
91 0.1481820526 1.000000000
|
|
92 0.1481821286 1.000000000
|
|
93 0.1550564807 1.000000000
|
|
94 0.1550565873 1.000000000
|
|
95 0.1841734309 1.000000000
|
|
96 0.1841734686 1.000000000
|
|
97 0.1862247153 1.000000000
|
|
98 0.1862247750 1.000000000
|
|
99 0.1866797544 1.000000000
|
|
100 0.1866797701 1.000000000
|
|
101 0.2190149571 1.000000000
|
|
102 0.2190150118 1.000000000
|
|
103 0.2211355270 1.000000000
|
|
104 0.2211355526 1.000000000
|
|
105 0.2215832389 1.000000000
|
|
106 0.2215832736 1.000000000
|
|
107 0.2314198597 1.000000000
|
|
108 0.2314199056 1.000000000
|
|
109 0.2322071005 1.000000000
|
|
110 0.2322071153 1.000000000
|
|
111 0.2389930609 1.000000000
|
|
112 0.2389930941 1.000000000
|
|
113 0.2837863304 0.9999998601
|
|
114 0.2837864875 0.9999998601
|
|
115 0.2913266203 0.9997367754
|
|
116 0.2913266778 0.9997367602
|
|
117 0.3050368327 0.4202045778E-02
|
|
118 0.3050369423 0.4201587543E-02
|
|
119 0.4472043019 0.000000000
|
|
120 0.4472044252 0.000000000
|
|
121 0.4485937313 0.000000000
|
|
122 0.4485938361 0.000000000
|
|
123 0.4638575556 0.000000000
|
|
124 0.4638577027 0.000000000
|
|
125 0.4653183118 0.000000000
|
|
126 0.4653184312 0.000000000
|
|
127 0.4770518012 0.000000000
|
|
128 0.4770520177 0.000000000
|
|
129 0.4837913817 0.000000000
|
|
130 0.4837914903 0.000000000
|
|
131 0.4841568295 0.000000000
|
|
132 0.4841569991 0.000000000
|
|
133 0.5066229204 0.000000000
|
|
134 0.5066231390 0.000000000
|
|
135 0.5201711914 0.000000000
|
|
136 0.5201715179 0.000000000
|
|
137 0.5219298120 0.000000000
|
|
138 0.5219299795 0.000000000
|
|
139 0.5269175505 0.000000000
|
|
140 0.5269176267 0.000000000
|
|
141 0.5550357580 0.000000000
|
|
142 0.5550361764 0.000000000
|
|
143 0.5574333506 0.000000000
|
|
144 0.5574338888 0.000000000
|
|
145 0.5758219523 0.000000000
|
|
146 0.5758220008 0.000000000
|
|
147 0.5944682393 0.000000000
|
|
148 0.5944685668 0.000000000
|
|
149 0.5959685659 0.000000000
|
|
150 0.5959686865 0.000000000
|
|
151 0.6519988773 0.000000000
|
|
152 0.6519990240 0.000000000
|
|
153 0.6562146514 0.000000000
|
|
154 0.6562150698 0.000000000
|
|
155 0.6587852298 0.000000000
|
|
156 0.6587854392 0.000000000
|
|
157 0.7044942709 0.000000000
|
|
158 0.7044943055 0.000000000
|
|
159 0.7357833941 0.000000000
|
|
160 0.7357834632 0.000000000
|
|
161 0.7567105314 0.000000000
|
|
162 0.7567107930 0.000000000
|
|
163 0.7845787376 0.000000000
|
|
164 0.7845787883 0.000000000
|
|
165 0.7937661428 0.000000000
|
|
166 0.7937665444 0.000000000
|
|
167 0.7942137856 0.000000000
|
|
168 0.7942138242 0.000000000
|
|
169 0.8035549821 0.000000000
|
|
170 0.8035554237 0.000000000
|
|
171 0.8181206378 0.000000000
|
|
172 0.8181207499 0.000000000
|
|
173 0.8272872946 0.000000000
|
|
174 0.8272873326 0.000000000
|
|
175 0.8346153550 0.000000000
|
|
176 0.8346157341 0.000000000
|
|
177 0.8421687709 0.000000000
|
|
178 0.8421689576 0.000000000
|
|
179 0.8800703894 0.000000000
|
|
180 0.8800707636 0.000000000
|
|
181 0.8836480944 0.000000000
|
|
182 0.8836491227 0.000000000
|
|
183 0.8858872826 0.000000000
|
|
184 0.8858873705 0.000000000
|
|
185 0.9016392295 0.000000000
|
|
186 0.9016392901 0.000000000
|
|
187 0.9259892989 0.000000000
|
|
188 0.9259895982 0.000000000
|
|
189 0.9284288046 0.000000000
|
|
190 0.9284293992 0.000000000
|
|
191 0.9334022978 0.000000000
|
|
192 0.9334024011 0.000000000
|
|
193 0.9490310271 0.000000000
|
|
194 0.9490313225 0.000000000
|
|
195 0.9522734297 0.000000000
|
|
196 0.9522737495 0.000000000
|
|
197 0.9803292317 0.000000000
|
|
198 0.9803295521 0.000000000
|
|
|
|
|
|
5 0.5000000000 0.000000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763351839 1.000000000
|
|
2 -2.763351833 1.000000000
|
|
3 -2.763348974 1.000000000
|
|
4 -2.763348971 1.000000000
|
|
5 -2.763347912 1.000000000
|
|
6 -2.763347906 1.000000000
|
|
7 -2.763345590 1.000000000
|
|
8 -2.763345586 1.000000000
|
|
9 -2.669478247 1.000000000
|
|
10 -2.669478239 1.000000000
|
|
11 -2.669476803 1.000000000
|
|
12 -2.669476796 1.000000000
|
|
13 -2.669476241 1.000000000
|
|
14 -2.669476237 1.000000000
|
|
15 -2.669475512 1.000000000
|
|
16 -2.669475508 1.000000000
|
|
17 -2.669436596 1.000000000
|
|
18 -2.669436593 1.000000000
|
|
19 -2.669433780 1.000000000
|
|
20 -2.669433777 1.000000000
|
|
21 -1.909414289 1.000000000
|
|
22 -1.909414269 1.000000000
|
|
23 -1.909405450 1.000000000
|
|
24 -1.909405442 1.000000000
|
|
25 -1.905812110 1.000000000
|
|
26 -1.905812100 1.000000000
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|
27 -1.850475956 1.000000000
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|
28 -1.850475896 1.000000000
|
|
29 -1.795952716 1.000000000
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|
30 -1.795952692 1.000000000
|
|
31 -1.794095960 1.000000000
|
|
32 -1.794095956 1.000000000
|
|
33 -1.794088706 1.000000000
|
|
34 -1.794088693 1.000000000
|
|
35 -1.790793408 1.000000000
|
|
36 -1.790793384 1.000000000
|
|
37 -1.415069897 1.000000000
|
|
38 -1.415069810 1.000000000
|
|
39 -1.415046624 1.000000000
|
|
40 -1.415046458 1.000000000
|
|
41 -1.189024928 1.000000000
|
|
42 -1.189024925 1.000000000
|
|
43 -0.6647170917 1.000000000
|
|
44 -0.6647170908 1.000000000
|
|
45 -0.6644613812 1.000000000
|
|
46 -0.6644613808 1.000000000
|
|
47 -0.5090369976 1.000000000
|
|
48 -0.5090369335 1.000000000
|
|
49 -0.4667575598 1.000000000
|
|
50 -0.4667574085 1.000000000
|
|
51 -0.4654873684 1.000000000
|
|
52 -0.4654870981 1.000000000
|
|
53 -0.3494270211 1.000000000
|
|
54 -0.3494269983 1.000000000
|
|
55 -0.3408412318 1.000000000
|
|
56 -0.3408411533 1.000000000
|
|
57 -0.3350379022 1.000000000
|
|
58 -0.3350378758 1.000000000
|
|
59 -0.3321059374 1.000000000
|
|
60 -0.3321059034 1.000000000
|
|
61 -0.3255746232 1.000000000
|
|
62 -0.3255746105 1.000000000
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|
63 -0.3211094960 1.000000000
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|
64 -0.3211094833 1.000000000
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65 -0.1677224572 1.000000000
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66 -0.1677223478 1.000000000
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67 -0.1664604394 1.000000000
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68 -0.1664603282 1.000000000
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69 -0.1041323737 1.000000000
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70 -0.1041321582 1.000000000
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71 -0.1019274378 1.000000000
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72 -0.1019272235 1.000000000
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73 -0.9292150080E-01 1.000000000
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|
74 -0.9292137591E-01 1.000000000
|
|
75 -0.9266704247E-01 1.000000000
|
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76 -0.9266691911E-01 1.000000000
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77 0.7796976277E-01 1.000000000
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78 0.7796993896E-01 1.000000000
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79 0.8122561870E-01 1.000000000
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80 0.8122571923E-01 1.000000000
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81 0.9328874579E-01 1.000000000
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82 0.9328881669E-01 1.000000000
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83 0.1078182827 1.000000000
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|
84 0.1078183242 1.000000000
|
|
85 0.1086062157 1.000000000
|
|
86 0.1086064327 1.000000000
|
|
87 0.1110721423 1.000000000
|
|
88 0.1110721778 1.000000000
|
|
89 0.1248579410 1.000000000
|
|
90 0.1248581063 1.000000000
|
|
91 0.1406420875 1.000000000
|
|
92 0.1406421613 1.000000000
|
|
93 0.1477105054 1.000000000
|
|
94 0.1477105954 1.000000000
|
|
95 0.1762745242 1.000000000
|
|
96 0.1762745800 1.000000000
|
|
97 0.1809550512 1.000000000
|
|
98 0.1809550906 1.000000000
|
|
99 0.1835390675 1.000000000
|
|
100 0.1835390885 1.000000000
|
|
101 0.2176529669 1.000000000
|
|
102 0.2176530004 1.000000000
|
|
103 0.2200970037 1.000000000
|
|
104 0.2200970117 1.000000000
|
|
105 0.2240600565 1.000000000
|
|
106 0.2240600863 1.000000000
|
|
107 0.2280227776 1.000000000
|
|
108 0.2280228308 1.000000000
|
|
109 0.2289706907 1.000000000
|
|
110 0.2289707154 1.000000000
|
|
111 0.2355438600 1.000000000
|
|
112 0.2355438891 1.000000000
|
|
113 0.2854847071 0.9999992356
|
|
114 0.2854848582 0.9999992355
|
|
115 0.2934914273 0.9977111916
|
|
116 0.2934914857 0.9977110584
|
|
117 0.3075923811 0.3275568602E-03
|
|
118 0.3075924934 0.3275201084E-03
|
|
119 0.4537956392 0.000000000
|
|
120 0.4537957292 0.000000000
|
|
121 0.4548543062 0.000000000
|
|
122 0.4548544085 0.000000000
|
|
123 0.4647018660 0.000000000
|
|
124 0.4647019957 0.000000000
|
|
125 0.4667555725 0.000000000
|
|
126 0.4667556970 0.000000000
|
|
127 0.4830812115 0.000000000
|
|
128 0.4830815476 0.000000000
|
|
129 0.4997998866 0.000000000
|
|
130 0.4998003952 0.000000000
|
|
131 0.5009867269 0.000000000
|
|
132 0.5009868759 0.000000000
|
|
133 0.5131127114 0.000000000
|
|
134 0.5131128355 0.000000000
|
|
135 0.5154882596 0.000000000
|
|
136 0.5154883481 0.000000000
|
|
137 0.5157594000 0.000000000
|
|
138 0.5157596927 0.000000000
|
|
139 0.5172128408 0.000000000
|
|
140 0.5172130878 0.000000000
|
|
141 0.5534074262 0.000000000
|
|
142 0.5534077910 0.000000000
|
|
143 0.5547182257 0.000000000
|
|
144 0.5547190016 0.000000000
|
|
145 0.5941888474 0.000000000
|
|
146 0.5941892478 0.000000000
|
|
147 0.5949157790 0.000000000
|
|
148 0.5949159380 0.000000000
|
|
149 0.6042075757 0.000000000
|
|
150 0.6042075945 0.000000000
|
|
151 0.6250204826 0.000000000
|
|
152 0.6250205253 0.000000000
|
|
153 0.6494212624 0.000000000
|
|
154 0.6494217339 0.000000000
|
|
155 0.6528552025 0.000000000
|
|
156 0.6528554355 0.000000000
|
|
157 0.7021390249 0.000000000
|
|
158 0.7021390877 0.000000000
|
|
159 0.7357945055 0.000000000
|
|
160 0.7357945705 0.000000000
|
|
161 0.7881557572 0.000000000
|
|
162 0.7881559020 0.000000000
|
|
163 0.7914241804 0.000000000
|
|
164 0.7914243496 0.000000000
|
|
165 0.8000591640 0.000000000
|
|
166 0.8000592042 0.000000000
|
|
167 0.8018831774 0.000000000
|
|
168 0.8018836341 0.000000000
|
|
169 0.8175136169 0.000000000
|
|
170 0.8175139827 0.000000000
|
|
171 0.8198288704 0.000000000
|
|
172 0.8198290929 0.000000000
|
|
173 0.8317065528 0.000000000
|
|
174 0.8317067669 0.000000000
|
|
175 0.8349851610 0.000000000
|
|
176 0.8349856860 0.000000000
|
|
177 0.8383789140 0.000000000
|
|
178 0.8383791762 0.000000000
|
|
179 0.8391887486 0.000000000
|
|
180 0.8391888309 0.000000000
|
|
181 0.8431404920 0.000000000
|
|
182 0.8431412429 0.000000000
|
|
183 0.8789006500 0.000000000
|
|
184 0.8789007608 0.000000000
|
|
185 0.8872260995 0.000000000
|
|
186 0.8872261758 0.000000000
|
|
187 0.9325865951 0.000000000
|
|
188 0.9325866934 0.000000000
|
|
189 0.9365281191 0.000000000
|
|
190 0.9365285350 0.000000000
|
|
191 0.9380024276 0.000000000
|
|
192 0.9380027418 0.000000000
|
|
193 0.9392659163 0.000000000
|
|
194 0.9392663490 0.000000000
|
|
195 0.9417025543 0.000000000
|
|
196 0.9417030565 0.000000000
|
|
197 0.9576072303 0.000000000
|
|
198 0.9576076228 0.000000000
|
|
|
|
|
|
6 0.1250000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353510 1.000000000
|
|
2 -2.763353507 1.000000000
|
|
3 -2.763351582 1.000000000
|
|
4 -2.763351576 1.000000000
|
|
5 -2.763349755 1.000000000
|
|
6 -2.763349752 1.000000000
|
|
7 -2.763346940 1.000000000
|
|
8 -2.763346940 1.000000000
|
|
9 -2.669478595 1.000000000
|
|
10 -2.669478592 1.000000000
|
|
11 -2.669478005 1.000000000
|
|
12 -2.669478001 1.000000000
|
|
13 -2.669477220 1.000000000
|
|
14 -2.669477218 1.000000000
|
|
15 -2.669475728 1.000000000
|
|
16 -2.669475726 1.000000000
|
|
17 -2.669438564 1.000000000
|
|
18 -2.669438561 1.000000000
|
|
19 -2.669434271 1.000000000
|
|
20 -2.669434268 1.000000000
|
|
21 -1.909412983 1.000000000
|
|
22 -1.909412972 1.000000000
|
|
23 -1.909409941 1.000000000
|
|
24 -1.909409923 1.000000000
|
|
25 -1.905820107 1.000000000
|
|
26 -1.905820097 1.000000000
|
|
27 -1.851065057 1.000000000
|
|
28 -1.851065012 1.000000000
|
|
29 -1.795950063 1.000000000
|
|
30 -1.795950035 1.000000000
|
|
31 -1.794098549 1.000000000
|
|
32 -1.794098544 1.000000000
|
|
33 -1.794095536 1.000000000
|
|
34 -1.794095515 1.000000000
|
|
35 -1.790801588 1.000000000
|
|
36 -1.790801564 1.000000000
|
|
37 -1.415282438 1.000000000
|
|
38 -1.415282281 1.000000000
|
|
39 -1.415172232 1.000000000
|
|
40 -1.415172071 1.000000000
|
|
41 -1.189027706 1.000000000
|
|
42 -1.189027704 1.000000000
|
|
43 -0.6668784599 1.000000000
|
|
44 -0.6668784594 1.000000000
|
|
45 -0.6625165586 1.000000000
|
|
46 -0.6625165578 1.000000000
|
|
47 -0.5087607272 1.000000000
|
|
48 -0.5087606430 1.000000000
|
|
49 -0.4653056526 1.000000000
|
|
50 -0.4653055326 1.000000000
|
|
51 -0.4648084591 1.000000000
|
|
52 -0.4648082625 1.000000000
|
|
53 -0.3654669817 1.000000000
|
|
54 -0.3654669348 1.000000000
|
|
55 -0.3434416990 1.000000000
|
|
56 -0.3434415816 1.000000000
|
|
57 -0.3414017692 1.000000000
|
|
58 -0.3414016461 1.000000000
|
|
59 -0.3231342090 1.000000000
|
|
60 -0.3231341748 1.000000000
|
|
61 -0.3130555308 1.000000000
|
|
62 -0.3130554938 1.000000000
|
|
63 -0.3080277747 1.000000000
|
|
64 -0.3080277603 1.000000000
|
|
65 -0.1776347406 1.000000000
|
|
66 -0.1776346437 1.000000000
|
|
67 -0.1651398668 1.000000000
|
|
68 -0.1651397656 1.000000000
|
|
69 -0.1155456142 1.000000000
|
|
70 -0.1155454115 1.000000000
|
|
71 -0.1122004532 1.000000000
|
|
72 -0.1122002866 1.000000000
|
|
73 -0.9603319049E-01 1.000000000
|
|
74 -0.9603298175E-01 1.000000000
|
|
75 -0.9407563263E-01 1.000000000
|
|
76 -0.9407542300E-01 1.000000000
|
|
77 0.5821286330E-01 1.000000000
|
|
78 0.5821320432E-01 1.000000000
|
|
79 0.6703546480E-01 1.000000000
|
|
80 0.6703587909E-01 1.000000000
|
|
81 0.8069831494E-01 1.000000000
|
|
82 0.8069838893E-01 1.000000000
|
|
83 0.1044360661 1.000000000
|
|
84 0.1044362096 1.000000000
|
|
85 0.1100903133 1.000000000
|
|
86 0.1100904225 1.000000000
|
|
87 0.1108201118 1.000000000
|
|
88 0.1108202718 1.000000000
|
|
89 0.1511689647 1.000000000
|
|
90 0.1511690534 1.000000000
|
|
91 0.1663948304 1.000000000
|
|
92 0.1663949957 1.000000000
|
|
93 0.1750072668 1.000000000
|
|
94 0.1750072985 1.000000000
|
|
95 0.1967611169 1.000000000
|
|
96 0.1967611546 1.000000000
|
|
97 0.2025357215 1.000000000
|
|
98 0.2025357600 1.000000000
|
|
99 0.2119318073 1.000000000
|
|
100 0.2119318281 1.000000000
|
|
101 0.2137989373 1.000000000
|
|
102 0.2137990274 1.000000000
|
|
103 0.2255180907 1.000000000
|
|
104 0.2255181638 1.000000000
|
|
105 0.2280679613 1.000000000
|
|
106 0.2280680829 1.000000000
|
|
107 0.2409678762 1.000000000
|
|
108 0.2409679054 1.000000000
|
|
109 0.2432362015 1.000000000
|
|
110 0.2432362363 1.000000000
|
|
111 0.2466801262 1.000000000
|
|
112 0.2466801575 1.000000000
|
|
113 0.2772655076 0.9999999998
|
|
114 0.2772656414 0.9999999998
|
|
115 0.2825509792 0.9999999593
|
|
116 0.2825511740 0.9999999593
|
|
117 0.2956172316 0.9811391925
|
|
118 0.2956173868 0.9811363207
|
|
119 0.4193505498 0.000000000
|
|
120 0.4193506824 0.000000000
|
|
121 0.4317447615 0.000000000
|
|
122 0.4317449915 0.000000000
|
|
123 0.4432615180 0.000000000
|
|
124 0.4432617818 0.000000000
|
|
125 0.4467042072 0.000000000
|
|
126 0.4467045780 0.000000000
|
|
127 0.4675568632 0.000000000
|
|
128 0.4675570300 0.000000000
|
|
129 0.4731856853 0.000000000
|
|
130 0.4731857723 0.000000000
|
|
131 0.4787677994 0.000000000
|
|
132 0.4787679576 0.000000000
|
|
133 0.4880062266 0.000000000
|
|
134 0.4880062459 0.000000000
|
|
135 0.4927858584 0.000000000
|
|
136 0.4927861152 0.000000000
|
|
137 0.5040650966 0.000000000
|
|
138 0.5040651456 0.000000000
|
|
139 0.5062315308 0.000000000
|
|
140 0.5062317534 0.000000000
|
|
141 0.5726078933 0.000000000
|
|
142 0.5726085177 0.000000000
|
|
143 0.5762743251 0.000000000
|
|
144 0.5762743566 0.000000000
|
|
145 0.5916191352 0.000000000
|
|
146 0.5916191709 0.000000000
|
|
147 0.5940803148 0.000000000
|
|
148 0.5940804245 0.000000000
|
|
149 0.5947464727 0.000000000
|
|
150 0.5947465542 0.000000000
|
|
151 0.6584700640 0.000000000
|
|
152 0.6584701096 0.000000000
|
|
153 0.6713180964 0.000000000
|
|
154 0.6713187169 0.000000000
|
|
155 0.6787082137 0.000000000
|
|
156 0.6787084930 0.000000000
|
|
157 0.7071682553 0.000000000
|
|
158 0.7071683019 0.000000000
|
|
159 0.7206562564 0.000000000
|
|
160 0.7206564631 0.000000000
|
|
161 0.7418022470 0.000000000
|
|
162 0.7418024494 0.000000000
|
|
163 0.7605244617 0.000000000
|
|
164 0.7605245447 0.000000000
|
|
165 0.7718715483 0.000000000
|
|
166 0.7718717607 0.000000000
|
|
167 0.7921880922 0.000000000
|
|
168 0.7921881644 0.000000000
|
|
169 0.8085796483 0.000000000
|
|
170 0.8085797581 0.000000000
|
|
171 0.8106838507 0.000000000
|
|
172 0.8106840162 0.000000000
|
|
173 0.8420841650 0.000000000
|
|
174 0.8420842295 0.000000000
|
|
175 0.8523168705 0.000000000
|
|
176 0.8523170229 0.000000000
|
|
177 0.8775228146 0.000000000
|
|
178 0.8775229658 0.000000000
|
|
179 0.8878224290 0.000000000
|
|
180 0.8878225607 0.000000000
|
|
181 0.8932138241 0.000000000
|
|
182 0.8932139562 0.000000000
|
|
183 0.8968767119 0.000000000
|
|
184 0.8968768869 0.000000000
|
|
185 0.8978998243 0.000000000
|
|
186 0.8979001240 0.000000000
|
|
187 0.9303837154 0.000000000
|
|
188 0.9303839161 0.000000000
|
|
189 0.9348862097 0.000000000
|
|
190 0.9348863210 0.000000000
|
|
191 0.9358954912 0.000000000
|
|
192 0.9358956910 0.000000000
|
|
193 0.9518458405 0.000000000
|
|
194 0.9518460149 0.000000000
|
|
195 0.9882288859 0.000000000
|
|
196 0.9882290049 0.000000000
|
|
197 1.012709443 0.000000000
|
|
198 1.012709656 0.000000000
|
|
|
|
|
|
7 0.2500000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763354146 1.000000000
|
|
2 -2.763354144 1.000000000
|
|
3 -2.763352110 1.000000000
|
|
4 -2.763352106 1.000000000
|
|
5 -2.763349986 1.000000000
|
|
6 -2.763349983 1.000000000
|
|
7 -2.763343607 1.000000000
|
|
8 -2.763343605 1.000000000
|
|
9 -2.669478715 1.000000000
|
|
10 -2.669478709 1.000000000
|
|
11 -2.669478557 1.000000000
|
|
12 -2.669478552 1.000000000
|
|
13 -2.669476031 1.000000000
|
|
14 -2.669476025 1.000000000
|
|
15 -2.669473976 1.000000000
|
|
16 -2.669473970 1.000000000
|
|
17 -2.669438348 1.000000000
|
|
18 -2.669438345 1.000000000
|
|
19 -2.669435187 1.000000000
|
|
20 -2.669435184 1.000000000
|
|
21 -1.909409865 1.000000000
|
|
22 -1.909409843 1.000000000
|
|
23 -1.909405907 1.000000000
|
|
24 -1.909405899 1.000000000
|
|
25 -1.905815183 1.000000000
|
|
26 -1.905815173 1.000000000
|
|
27 -1.851093533 1.000000000
|
|
28 -1.851093469 1.000000000
|
|
29 -1.795947305 1.000000000
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|
30 -1.795947280 1.000000000
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|
31 -1.794094113 1.000000000
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|
32 -1.794094106 1.000000000
|
|
33 -1.794090491 1.000000000
|
|
34 -1.794090481 1.000000000
|
|
35 -1.790796798 1.000000000
|
|
36 -1.790796774 1.000000000
|
|
37 -1.415313963 1.000000000
|
|
38 -1.415313898 1.000000000
|
|
39 -1.415147427 1.000000000
|
|
40 -1.415147275 1.000000000
|
|
41 -1.189026094 1.000000000
|
|
42 -1.189026092 1.000000000
|
|
43 -0.6661768607 1.000000000
|
|
44 -0.6661768601 1.000000000
|
|
45 -0.6630944394 1.000000000
|
|
46 -0.6630944388 1.000000000
|
|
47 -0.5088814761 1.000000000
|
|
48 -0.5088813999 1.000000000
|
|
49 -0.4659828640 1.000000000
|
|
50 -0.4659827861 1.000000000
|
|
51 -0.4650881661 1.000000000
|
|
52 -0.4650879569 1.000000000
|
|
53 -0.3621827750 1.000000000
|
|
54 -0.3621827184 1.000000000
|
|
55 -0.3398250768 1.000000000
|
|
56 -0.3398249802 1.000000000
|
|
57 -0.3368455076 1.000000000
|
|
58 -0.3368454140 1.000000000
|
|
59 -0.3301564341 1.000000000
|
|
60 -0.3301563810 1.000000000
|
|
61 -0.3195333913 1.000000000
|
|
62 -0.3195333311 1.000000000
|
|
63 -0.3109668329 1.000000000
|
|
64 -0.3109668086 1.000000000
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|
65 -0.1731477839 1.000000000
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66 -0.1731476800 1.000000000
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|
67 -0.1646997848 1.000000000
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68 -0.1646996801 1.000000000
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|
69 -0.1107344700 1.000000000
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70 -0.1107342758 1.000000000
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|
71 -0.1040398056 1.000000000
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|
72 -0.1040396819 1.000000000
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73 -0.9676324206E-01 1.000000000
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74 -0.9676302320E-01 1.000000000
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75 -0.9240363503E-01 1.000000000
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76 -0.9240346656E-01 1.000000000
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77 0.6141441346E-01 1.000000000
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78 0.6141473202E-01 1.000000000
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79 0.7608687119E-01 1.000000000
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80 0.7608720794E-01 1.000000000
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81 0.9222494673E-01 1.000000000
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82 0.9222503280E-01 1.000000000
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83 0.9931710384E-01 1.000000000
|
|
84 0.9931723450E-01 1.000000000
|
|
85 0.1077853601 1.000000000
|
|
86 0.1077855172 1.000000000
|
|
87 0.1099394627 1.000000000
|
|
88 0.1099395894 1.000000000
|
|
89 0.1391141381 1.000000000
|
|
90 0.1391142973 1.000000000
|
|
91 0.1527081452 1.000000000
|
|
92 0.1527084088 1.000000000
|
|
93 0.1677260942 1.000000000
|
|
94 0.1677261382 1.000000000
|
|
95 0.1864843131 1.000000000
|
|
96 0.1864843640 1.000000000
|
|
97 0.1934068890 1.000000000
|
|
98 0.1934069454 1.000000000
|
|
99 0.1997921162 1.000000000
|
|
100 0.1997922062 1.000000000
|
|
101 0.2144861302 1.000000000
|
|
102 0.2144861912 1.000000000
|
|
103 0.2193453526 1.000000000
|
|
104 0.2193454843 1.000000000
|
|
105 0.2228685783 1.000000000
|
|
106 0.2228686035 1.000000000
|
|
107 0.2337566693 1.000000000
|
|
108 0.2337566951 1.000000000
|
|
109 0.2368047349 1.000000000
|
|
110 0.2368047656 1.000000000
|
|
111 0.2418339985 1.000000000
|
|
112 0.2418340272 1.000000000
|
|
113 0.2819201372 0.9999999784
|
|
114 0.2819202292 0.9999999784
|
|
115 0.2886795406 0.9999813439
|
|
116 0.2886796463 0.9999813419
|
|
117 0.3025560678 0.4800713363E-01
|
|
118 0.3025562063 0.4800080130E-01
|
|
119 0.4283217401 0.000000000
|
|
120 0.4283218752 0.000000000
|
|
121 0.4471700246 0.000000000
|
|
122 0.4471702733 0.000000000
|
|
123 0.4578247361 0.000000000
|
|
124 0.4578250443 0.000000000
|
|
125 0.4665291548 0.000000000
|
|
126 0.4665295271 0.000000000
|
|
127 0.4722539312 0.000000000
|
|
128 0.4722541533 0.000000000
|
|
129 0.4770955479 0.000000000
|
|
130 0.4770956303 0.000000000
|
|
131 0.4801783931 0.000000000
|
|
132 0.4801784638 0.000000000
|
|
133 0.5070127364 0.000000000
|
|
134 0.5070128985 0.000000000
|
|
135 0.5106783475 0.000000000
|
|
136 0.5106785830 0.000000000
|
|
137 0.5212206886 0.000000000
|
|
138 0.5212208810 0.000000000
|
|
139 0.5273024340 0.000000000
|
|
140 0.5273024965 0.000000000
|
|
141 0.5513345199 0.000000000
|
|
142 0.5513350921 0.000000000
|
|
143 0.5639464971 0.000000000
|
|
144 0.5639465426 0.000000000
|
|
145 0.5827859294 0.000000000
|
|
146 0.5827862001 0.000000000
|
|
147 0.5925195181 0.000000000
|
|
148 0.5925198980 0.000000000
|
|
149 0.5964484547 0.000000000
|
|
150 0.5964485588 0.000000000
|
|
151 0.6577809704 0.000000000
|
|
152 0.6577816093 0.000000000
|
|
153 0.6639619986 0.000000000
|
|
154 0.6639621662 0.000000000
|
|
155 0.6675027016 0.000000000
|
|
156 0.6675028240 0.000000000
|
|
157 0.7116434136 0.000000000
|
|
158 0.7116434725 0.000000000
|
|
159 0.7196978858 0.000000000
|
|
160 0.7196979945 0.000000000
|
|
161 0.7416608355 0.000000000
|
|
162 0.7416610932 0.000000000
|
|
163 0.7565173650 0.000000000
|
|
164 0.7565176255 0.000000000
|
|
165 0.7807790085 0.000000000
|
|
166 0.7807790631 0.000000000
|
|
167 0.7859348039 0.000000000
|
|
168 0.7859350983 0.000000000
|
|
169 0.7990192851 0.000000000
|
|
170 0.7990195819 0.000000000
|
|
171 0.8049047664 0.000000000
|
|
172 0.8049049641 0.000000000
|
|
173 0.8466167526 0.000000000
|
|
174 0.8466169713 0.000000000
|
|
175 0.8608236720 0.000000000
|
|
176 0.8608238326 0.000000000
|
|
177 0.8674430215 0.000000000
|
|
178 0.8674432288 0.000000000
|
|
179 0.8910493691 0.000000000
|
|
180 0.8910495440 0.000000000
|
|
181 0.8930447741 0.000000000
|
|
182 0.8930449456 0.000000000
|
|
183 0.8960569935 0.000000000
|
|
184 0.8960578766 0.000000000
|
|
185 0.9100793201 0.000000000
|
|
186 0.9100794616 0.000000000
|
|
187 0.9172696857 0.000000000
|
|
188 0.9172699872 0.000000000
|
|
189 0.9258068605 0.000000000
|
|
190 0.9258071252 0.000000000
|
|
191 0.9407848032 0.000000000
|
|
192 0.9407852020 0.000000000
|
|
193 0.9431462877 0.000000000
|
|
194 0.9431465310 0.000000000
|
|
195 0.9539322673 0.000000000
|
|
196 0.9539323367 0.000000000
|
|
197 1.003761055 0.000000000
|
|
198 1.003761268 0.000000000
|
|
|
|
|
|
8 0.3750000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353178 1.000000000
|
|
2 -2.763353174 1.000000000
|
|
3 -2.763350018 1.000000000
|
|
4 -2.763350014 1.000000000
|
|
5 -2.763347534 1.000000000
|
|
6 -2.763347531 1.000000000
|
|
7 -2.763343086 1.000000000
|
|
8 -2.763343085 1.000000000
|
|
9 -2.669478878 1.000000000
|
|
10 -2.669478873 1.000000000
|
|
11 -2.669476982 1.000000000
|
|
12 -2.669476974 1.000000000
|
|
13 -2.669475771 1.000000000
|
|
14 -2.669475766 1.000000000
|
|
15 -2.669473546 1.000000000
|
|
16 -2.669473543 1.000000000
|
|
17 -2.669437430 1.000000000
|
|
18 -2.669437427 1.000000000
|
|
19 -2.669434130 1.000000000
|
|
20 -2.669434126 1.000000000
|
|
21 -1.909410635 1.000000000
|
|
22 -1.909410615 1.000000000
|
|
23 -1.909406007 1.000000000
|
|
24 -1.909405996 1.000000000
|
|
25 -1.905812594 1.000000000
|
|
26 -1.905812584 1.000000000
|
|
27 -1.850771685 1.000000000
|
|
28 -1.850771626 1.000000000
|
|
29 -1.795949540 1.000000000
|
|
30 -1.795949512 1.000000000
|
|
31 -1.794094552 1.000000000
|
|
32 -1.794094547 1.000000000
|
|
33 -1.794088680 1.000000000
|
|
34 -1.794088662 1.000000000
|
|
35 -1.790793887 1.000000000
|
|
36 -1.790793863 1.000000000
|
|
37 -1.415236856 1.000000000
|
|
38 -1.415236702 1.000000000
|
|
39 -1.415043232 1.000000000
|
|
40 -1.415043063 1.000000000
|
|
41 -1.189024931 1.000000000
|
|
42 -1.189024929 1.000000000
|
|
43 -0.6652410960 1.000000000
|
|
44 -0.6652410953 1.000000000
|
|
45 -0.6639303630 1.000000000
|
|
46 -0.6639303624 1.000000000
|
|
47 -0.5089584985 1.000000000
|
|
48 -0.5089584281 1.000000000
|
|
49 -0.4664808579 1.000000000
|
|
50 -0.4664807586 1.000000000
|
|
51 -0.4653455454 1.000000000
|
|
52 -0.4653453126 1.000000000
|
|
53 -0.3570956001 1.000000000
|
|
54 -0.3570955437 1.000000000
|
|
55 -0.3399828316 1.000000000
|
|
56 -0.3399827543 1.000000000
|
|
57 -0.3345362186 1.000000000
|
|
58 -0.3345361886 1.000000000
|
|
59 -0.3324963338 1.000000000
|
|
60 -0.3324963079 1.000000000
|
|
61 -0.3236560772 1.000000000
|
|
62 -0.3236560038 1.000000000
|
|
63 -0.3156543261 1.000000000
|
|
64 -0.3156542898 1.000000000
|
|
65 -0.1687854601 1.000000000
|
|
66 -0.1687853511 1.000000000
|
|
67 -0.1651152246 1.000000000
|
|
68 -0.1651151156 1.000000000
|
|
69 -0.1053233030 1.000000000
|
|
70 -0.1053231093 1.000000000
|
|
71 -0.9909017184E-01 1.000000000
|
|
72 -0.9908994378E-01 1.000000000
|
|
73 -0.9605898924E-01 1.000000000
|
|
74 -0.9605887573E-01 1.000000000
|
|
75 -0.9153689178E-01 1.000000000
|
|
76 -0.9153672885E-01 1.000000000
|
|
77 0.6844309660E-01 1.000000000
|
|
78 0.6844336024E-01 1.000000000
|
|
79 0.7968745521E-01 1.000000000
|
|
80 0.7968769919E-01 1.000000000
|
|
81 0.9240090627E-01 1.000000000
|
|
82 0.9240095767E-01 1.000000000
|
|
83 0.1036734277 1.000000000
|
|
84 0.1036735385 1.000000000
|
|
85 0.1057974052 1.000000000
|
|
86 0.1057977134 1.000000000
|
|
87 0.1092787157 1.000000000
|
|
88 0.1092787900 1.000000000
|
|
89 0.1301415575 1.000000000
|
|
90 0.1301417536 1.000000000
|
|
91 0.1442042181 1.000000000
|
|
92 0.1442045037 1.000000000
|
|
93 0.1582760172 1.000000000
|
|
94 0.1582760920 1.000000000
|
|
95 0.1808436616 1.000000000
|
|
96 0.1808437029 1.000000000
|
|
97 0.1854379216 1.000000000
|
|
98 0.1854379920 1.000000000
|
|
99 0.1878405355 1.000000000
|
|
100 0.1878406185 1.000000000
|
|
101 0.2138561578 1.000000000
|
|
102 0.2138562560 1.000000000
|
|
103 0.2179859359 1.000000000
|
|
104 0.2179859840 1.000000000
|
|
105 0.2189346443 1.000000000
|
|
106 0.2189346724 1.000000000
|
|
107 0.2304561470 1.000000000
|
|
108 0.2304561829 1.000000000
|
|
109 0.2312377843 1.000000000
|
|
110 0.2312378049 1.000000000
|
|
111 0.2352424540 1.000000000
|
|
112 0.2352424767 1.000000000
|
|
113 0.2857463853 0.9999990069
|
|
114 0.2857465158 0.9999990068
|
|
115 0.2923594632 0.9992609433
|
|
116 0.2923595055 0.9992609121
|
|
117 0.3070823591 0.5453707280E-03
|
|
118 0.3070824663 0.5453122793E-03
|
|
119 0.4403453064 0.000000000
|
|
120 0.4403454232 0.000000000
|
|
121 0.4542066608 0.000000000
|
|
122 0.4542069100 0.000000000
|
|
123 0.4662449032 0.000000000
|
|
124 0.4662451402 0.000000000
|
|
125 0.4731036298 0.000000000
|
|
126 0.4731038028 0.000000000
|
|
127 0.4824663358 0.000000000
|
|
128 0.4824665509 0.000000000
|
|
129 0.4894248966 0.000000000
|
|
130 0.4894252871 0.000000000
|
|
131 0.4990310554 0.000000000
|
|
132 0.4990314292 0.000000000
|
|
133 0.5167534995 0.000000000
|
|
134 0.5167536676 0.000000000
|
|
135 0.5175312273 0.000000000
|
|
136 0.5175313993 0.000000000
|
|
137 0.5242943119 0.000000000
|
|
138 0.5242945419 0.000000000
|
|
139 0.5338486800 0.000000000
|
|
140 0.5338488102 0.000000000
|
|
141 0.5450086841 0.000000000
|
|
142 0.5450091237 0.000000000
|
|
143 0.5603088937 0.000000000
|
|
144 0.5603092145 0.000000000
|
|
145 0.5842310134 0.000000000
|
|
146 0.5842310771 0.000000000
|
|
147 0.5924861772 0.000000000
|
|
148 0.5924864838 0.000000000
|
|
149 0.5975306180 0.000000000
|
|
150 0.5975307937 0.000000000
|
|
151 0.6419495376 0.000000000
|
|
152 0.6419495703 0.000000000
|
|
153 0.6508466063 0.000000000
|
|
154 0.6508472477 0.000000000
|
|
155 0.6536882081 0.000000000
|
|
156 0.6536883564 0.000000000
|
|
157 0.7142843340 0.000000000
|
|
158 0.7142843653 0.000000000
|
|
159 0.7385099968 0.000000000
|
|
160 0.7385100361 0.000000000
|
|
161 0.7529206177 0.000000000
|
|
162 0.7529208473 0.000000000
|
|
163 0.7569366832 0.000000000
|
|
164 0.7569370822 0.000000000
|
|
165 0.7720973900 0.000000000
|
|
166 0.7720974721 0.000000000
|
|
167 0.7847818611 0.000000000
|
|
168 0.7847820736 0.000000000
|
|
169 0.7994430153 0.000000000
|
|
170 0.7994432580 0.000000000
|
|
171 0.8274994644 0.000000000
|
|
172 0.8274997649 0.000000000
|
|
173 0.8379009102 0.000000000
|
|
174 0.8379011295 0.000000000
|
|
175 0.8418576513 0.000000000
|
|
176 0.8418580210 0.000000000
|
|
177 0.8512763080 0.000000000
|
|
178 0.8512764471 0.000000000
|
|
179 0.8632908126 0.000000000
|
|
180 0.8632910419 0.000000000
|
|
181 0.8796230578 0.000000000
|
|
182 0.8796232656 0.000000000
|
|
183 0.8936651319 0.000000000
|
|
184 0.8936652767 0.000000000
|
|
185 0.9062207993 0.000000000
|
|
186 0.9062211702 0.000000000
|
|
187 0.9186826684 0.000000000
|
|
188 0.9186829221 0.000000000
|
|
189 0.9293257360 0.000000000
|
|
190 0.9293260124 0.000000000
|
|
191 0.9354166675 0.000000000
|
|
192 0.9354169709 0.000000000
|
|
193 0.9517191863 0.000000000
|
|
194 0.9517194470 0.000000000
|
|
195 0.9608314685 0.000000000
|
|
196 0.9608317682 0.000000000
|
|
197 0.9758918005 0.000000000
|
|
198 0.9758922123 0.000000000
|
|
|
|
|
|
9 0.5000000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352949 1.000000000
|
|
2 -2.763352943 1.000000000
|
|
3 -2.763348956 1.000000000
|
|
4 -2.763348951 1.000000000
|
|
5 -2.763347331 1.000000000
|
|
6 -2.763347327 1.000000000
|
|
7 -2.763345555 1.000000000
|
|
8 -2.763345552 1.000000000
|
|
9 -2.669478528 1.000000000
|
|
10 -2.669478519 1.000000000
|
|
11 -2.669476983 1.000000000
|
|
12 -2.669476974 1.000000000
|
|
13 -2.669475735 1.000000000
|
|
14 -2.669475733 1.000000000
|
|
15 -2.669474962 1.000000000
|
|
16 -2.669474960 1.000000000
|
|
17 -2.669436930 1.000000000
|
|
18 -2.669436927 1.000000000
|
|
19 -2.669434255 1.000000000
|
|
20 -2.669434252 1.000000000
|
|
21 -1.909410625 1.000000000
|
|
22 -1.909410603 1.000000000
|
|
23 -1.909404001 1.000000000
|
|
24 -1.909403990 1.000000000
|
|
25 -1.905811783 1.000000000
|
|
26 -1.905811773 1.000000000
|
|
27 -1.850687343 1.000000000
|
|
28 -1.850687280 1.000000000
|
|
29 -1.795949040 1.000000000
|
|
30 -1.795949012 1.000000000
|
|
31 -1.794093159 1.000000000
|
|
32 -1.794093151 1.000000000
|
|
33 -1.794086965 1.000000000
|
|
34 -1.794086955 1.000000000
|
|
35 -1.790793481 1.000000000
|
|
36 -1.790793458 1.000000000
|
|
37 -1.415169099 1.000000000
|
|
38 -1.415168923 1.000000000
|
|
39 -1.415061878 1.000000000
|
|
40 -1.415061754 1.000000000
|
|
41 -1.189024758 1.000000000
|
|
42 -1.189024756 1.000000000
|
|
43 -0.6649451269 1.000000000
|
|
44 -0.6649451263 1.000000000
|
|
45 -0.6642083921 1.000000000
|
|
46 -0.6642083914 1.000000000
|
|
47 -0.5089611530 1.000000000
|
|
48 -0.5089610871 1.000000000
|
|
49 -0.4665115742 1.000000000
|
|
50 -0.4665114368 1.000000000
|
|
51 -0.4654026323 1.000000000
|
|
52 -0.4654023731 1.000000000
|
|
53 -0.3557680560 1.000000000
|
|
54 -0.3557680023 1.000000000
|
|
55 -0.3425290125 1.000000000
|
|
56 -0.3425289353 1.000000000
|
|
57 -0.3365905661 1.000000000
|
|
58 -0.3365904708 1.000000000
|
|
59 -0.3283956417 1.000000000
|
|
60 -0.3283955775 1.000000000
|
|
61 -0.3221584833 1.000000000
|
|
62 -0.3221584520 1.000000000
|
|
63 -0.3185534088 1.000000000
|
|
64 -0.3185533970 1.000000000
|
|
65 -0.1676424744 1.000000000
|
|
66 -0.1676423649 1.000000000
|
|
67 -0.1655938804 1.000000000
|
|
68 -0.1655937714 1.000000000
|
|
69 -0.1037247730 1.000000000
|
|
70 -0.1037245425 1.000000000
|
|
71 -0.1001399348 1.000000000
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|
72 -0.1001397320 1.000000000
|
|
73 -0.9415412141E-01 1.000000000
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|
74 -0.9415396159E-01 1.000000000
|
|
75 -0.9186775462E-01 1.000000000
|
|
76 -0.9186764906E-01 1.000000000
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|
77 0.7421458463E-01 1.000000000
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|
78 0.7421473819E-01 1.000000000
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79 0.7607144114E-01 1.000000000
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80 0.7607147635E-01 1.000000000
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|
81 0.9111685425E-01 1.000000000
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|
82 0.9111691595E-01 1.000000000
|
|
83 0.1009240864 1.000000000
|
|
84 0.1009242300 1.000000000
|
|
85 0.1051525980 1.000000000
|
|
86 0.1051528976 1.000000000
|
|
87 0.1082601099 1.000000000
|
|
88 0.1082602013 1.000000000
|
|
89 0.1327956585 1.000000000
|
|
90 0.1327957978 1.000000000
|
|
91 0.1476142166 1.000000000
|
|
92 0.1476143071 1.000000000
|
|
93 0.1548712846 1.000000000
|
|
94 0.1548713790 1.000000000
|
|
95 0.1812189772 1.000000000
|
|
96 0.1812189957 1.000000000
|
|
97 0.1828073723 1.000000000
|
|
98 0.1828074243 1.000000000
|
|
99 0.1848890367 1.000000000
|
|
100 0.1848891059 1.000000000
|
|
101 0.2147292637 1.000000000
|
|
102 0.2147292990 1.000000000
|
|
103 0.2163723643 1.000000000
|
|
104 0.2163723784 1.000000000
|
|
105 0.2204451736 1.000000000
|
|
106 0.2204452184 1.000000000
|
|
107 0.2272623818 1.000000000
|
|
108 0.2272624190 1.000000000
|
|
109 0.2291324101 1.000000000
|
|
110 0.2291324502 1.000000000
|
|
111 0.2367677425 1.000000000
|
|
112 0.2367677980 1.000000000
|
|
113 0.2852258005 0.9999994100
|
|
114 0.2852260020 0.9999994098
|
|
115 0.2934123992 0.9978847414
|
|
116 0.2934125389 0.9978844465
|
|
117 0.3082556019 0.1687806195E-03
|
|
118 0.3082556959 0.1687647501E-03
|
|
119 0.4479301262 0.000000000
|
|
120 0.4479301484 0.000000000
|
|
121 0.4488159167 0.000000000
|
|
122 0.4488161668 0.000000000
|
|
123 0.4694602310 0.000000000
|
|
124 0.4694604258 0.000000000
|
|
125 0.4715266149 0.000000000
|
|
126 0.4715267464 0.000000000
|
|
127 0.4846025662 0.000000000
|
|
128 0.4846028962 0.000000000
|
|
129 0.4961002092 0.000000000
|
|
130 0.4961005728 0.000000000
|
|
131 0.5021395290 0.000000000
|
|
132 0.5021398448 0.000000000
|
|
133 0.5126146012 0.000000000
|
|
134 0.5126147945 0.000000000
|
|
135 0.5204324085 0.000000000
|
|
136 0.5204327191 0.000000000
|
|
137 0.5271909213 0.000000000
|
|
138 0.5271911699 0.000000000
|
|
139 0.5279006264 0.000000000
|
|
140 0.5279010163 0.000000000
|
|
141 0.5502079560 0.000000000
|
|
142 0.5502086449 0.000000000
|
|
143 0.5568741730 0.000000000
|
|
144 0.5568746003 0.000000000
|
|
145 0.5872215482 0.000000000
|
|
146 0.5872218409 0.000000000
|
|
147 0.5964887877 0.000000000
|
|
148 0.5964889979 0.000000000
|
|
149 0.5998394142 0.000000000
|
|
150 0.5998395381 0.000000000
|
|
151 0.6317569709 0.000000000
|
|
152 0.6317570774 0.000000000
|
|
153 0.6437243989 0.000000000
|
|
154 0.6437246154 0.000000000
|
|
155 0.6564016342 0.000000000
|
|
156 0.6564022666 0.000000000
|
|
157 0.7130466750 0.000000000
|
|
158 0.7130467075 0.000000000
|
|
159 0.7384345911 0.000000000
|
|
160 0.7384346637 0.000000000
|
|
161 0.7657385361 0.000000000
|
|
162 0.7657389374 0.000000000
|
|
163 0.7709971763 0.000000000
|
|
164 0.7709972110 0.000000000
|
|
165 0.7755669496 0.000000000
|
|
166 0.7755671785 0.000000000
|
|
167 0.7899057208 0.000000000
|
|
168 0.7899058284 0.000000000
|
|
169 0.7927689201 0.000000000
|
|
170 0.7927691999 0.000000000
|
|
171 0.8023076863 0.000000000
|
|
172 0.8023079319 0.000000000
|
|
173 0.8258107437 0.000000000
|
|
174 0.8258108438 0.000000000
|
|
175 0.8301692950 0.000000000
|
|
176 0.8301694838 0.000000000
|
|
177 0.8428176383 0.000000000
|
|
178 0.8428180078 0.000000000
|
|
179 0.8741773208 0.000000000
|
|
180 0.8741779410 0.000000000
|
|
181 0.8869385543 0.000000000
|
|
182 0.8869388217 0.000000000
|
|
183 0.8921314453 0.000000000
|
|
184 0.8921316005 0.000000000
|
|
185 0.9129245500 0.000000000
|
|
186 0.9129248698 0.000000000
|
|
187 0.9186382522 0.000000000
|
|
188 0.9186386560 0.000000000
|
|
189 0.9339737482 0.000000000
|
|
190 0.9339738711 0.000000000
|
|
191 0.9421486069 0.000000000
|
|
192 0.9421491105 0.000000000
|
|
193 0.9493901943 0.000000000
|
|
194 0.9493905701 0.000000000
|
|
195 0.9591313866 0.000000000
|
|
196 0.9591315771 0.000000000
|
|
197 0.9611879382 0.000000000
|
|
198 0.9611883794 0.000000000
|
|
|
|
|
|
10 0.6250000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352761 1.000000000
|
|
2 -2.763352755 1.000000000
|
|
3 -2.763350227 1.000000000
|
|
4 -2.763350223 1.000000000
|
|
5 -2.763347017 1.000000000
|
|
6 -2.763347012 1.000000000
|
|
7 -2.763346200 1.000000000
|
|
8 -2.763346196 1.000000000
|
|
9 -2.669478810 1.000000000
|
|
10 -2.669478801 1.000000000
|
|
11 -2.669476874 1.000000000
|
|
12 -2.669476864 1.000000000
|
|
13 -2.669475973 1.000000000
|
|
14 -2.669475971 1.000000000
|
|
15 -2.669475136 1.000000000
|
|
16 -2.669475134 1.000000000
|
|
17 -2.669437559 1.000000000
|
|
18 -2.669437555 1.000000000
|
|
19 -2.669433940 1.000000000
|
|
20 -2.669433937 1.000000000
|
|
21 -1.909409029 1.000000000
|
|
22 -1.909409012 1.000000000
|
|
23 -1.909405808 1.000000000
|
|
24 -1.909405797 1.000000000
|
|
25 -1.905813637 1.000000000
|
|
26 -1.905813627 1.000000000
|
|
27 -1.850797445 1.000000000
|
|
28 -1.850797385 1.000000000
|
|
29 -1.795947634 1.000000000
|
|
30 -1.795947606 1.000000000
|
|
31 -1.794093555 1.000000000
|
|
32 -1.794093547 1.000000000
|
|
33 -1.794089126 1.000000000
|
|
34 -1.794089113 1.000000000
|
|
35 -1.790795258 1.000000000
|
|
36 -1.790795234 1.000000000
|
|
37 -1.415217957 1.000000000
|
|
38 -1.415217783 1.000000000
|
|
39 -1.415076243 1.000000000
|
|
40 -1.415076134 1.000000000
|
|
41 -1.189025600 1.000000000
|
|
42 -1.189025597 1.000000000
|
|
43 -0.6659123604 1.000000000
|
|
44 -0.6659123598 1.000000000
|
|
45 -0.6633157798 1.000000000
|
|
46 -0.6633157788 1.000000000
|
|
47 -0.5088818687 1.000000000
|
|
48 -0.5088818066 1.000000000
|
|
49 -0.4660575899 1.000000000
|
|
50 -0.4660574168 1.000000000
|
|
51 -0.4652111808 1.000000000
|
|
52 -0.4652108973 1.000000000
|
|
53 -0.3614474264 1.000000000
|
|
54 -0.3614473671 1.000000000
|
|
55 -0.3411162403 1.000000000
|
|
56 -0.3411161338 1.000000000
|
|
57 -0.3357740100 1.000000000
|
|
58 -0.3357739333 1.000000000
|
|
59 -0.3300820115 1.000000000
|
|
60 -0.3300819531 1.000000000
|
|
61 -0.3192037669 1.000000000
|
|
62 -0.3192037181 1.000000000
|
|
63 -0.3133496622 1.000000000
|
|
64 -0.3133496311 1.000000000
|
|
65 -0.1715248804 1.000000000
|
|
66 -0.1715247731 1.000000000
|
|
67 -0.1646207984 1.000000000
|
|
68 -0.1646206927 1.000000000
|
|
69 -0.1088323126 1.000000000
|
|
70 -0.1088320766 1.000000000
|
|
71 -0.1011534627 1.000000000
|
|
72 -0.1011532961 1.000000000
|
|
73 -0.9724605253E-01 1.000000000
|
|
74 -0.9724583994E-01 1.000000000
|
|
75 -0.9183354508E-01 1.000000000
|
|
76 -0.9183343465E-01 1.000000000
|
|
77 0.6682764757E-01 1.000000000
|
|
78 0.6682809410E-01 1.000000000
|
|
79 0.7192265167E-01 1.000000000
|
|
80 0.7192283720E-01 1.000000000
|
|
81 0.9216595336E-01 1.000000000
|
|
82 0.9216600603E-01 1.000000000
|
|
83 0.9880070791E-01 1.000000000
|
|
84 0.9880082895E-01 1.000000000
|
|
85 0.1077237751 1.000000000
|
|
86 0.1077239835 1.000000000
|
|
87 0.1092508405 1.000000000
|
|
88 0.1092509215 1.000000000
|
|
89 0.1367443100 1.000000000
|
|
90 0.1367444699 1.000000000
|
|
91 0.1544642080 1.000000000
|
|
92 0.1544644016 1.000000000
|
|
93 0.1632001294 1.000000000
|
|
94 0.1632002536 1.000000000
|
|
95 0.1860585578 1.000000000
|
|
96 0.1860585895 1.000000000
|
|
97 0.1885177197 1.000000000
|
|
98 0.1885177498 1.000000000
|
|
99 0.1961815894 1.000000000
|
|
100 0.1961816507 1.000000000
|
|
101 0.2152974161 1.000000000
|
|
102 0.2152974531 1.000000000
|
|
103 0.2186687531 1.000000000
|
|
104 0.2186688013 1.000000000
|
|
105 0.2206831928 1.000000000
|
|
106 0.2206832437 1.000000000
|
|
107 0.2298423903 1.000000000
|
|
108 0.2298424177 1.000000000
|
|
109 0.2324862672 1.000000000
|
|
110 0.2324863122 1.000000000
|
|
111 0.2427191340 1.000000000
|
|
112 0.2427191893 1.000000000
|
|
113 0.2800364421 0.9999999967
|
|
114 0.2800366600 0.9999999967
|
|
115 0.2919802997 0.9994940467
|
|
116 0.2919804670 0.9994939621
|
|
117 0.3056496547 0.2281143046E-02
|
|
118 0.3056497436 0.2280940883E-02
|
|
119 0.4342477724 0.000000000
|
|
120 0.4342481848 0.000000000
|
|
121 0.4460461646 0.000000000
|
|
122 0.4460462755 0.000000000
|
|
123 0.4641713293 0.000000000
|
|
124 0.4641715418 0.000000000
|
|
125 0.4686006839 0.000000000
|
|
126 0.4686009757 0.000000000
|
|
127 0.4773128275 0.000000000
|
|
128 0.4773129819 0.000000000
|
|
129 0.4795058667 0.000000000
|
|
130 0.4795059411 0.000000000
|
|
131 0.4831766291 0.000000000
|
|
132 0.4831767914 0.000000000
|
|
133 0.5122792219 0.000000000
|
|
134 0.5122793967 0.000000000
|
|
135 0.5129194987 0.000000000
|
|
136 0.5129197635 0.000000000
|
|
137 0.5293115475 0.000000000
|
|
138 0.5293117849 0.000000000
|
|
139 0.5319692883 0.000000000
|
|
140 0.5319696609 0.000000000
|
|
141 0.5492539464 0.000000000
|
|
142 0.5492544191 0.000000000
|
|
143 0.5665891836 0.000000000
|
|
144 0.5665894085 0.000000000
|
|
145 0.5739619844 0.000000000
|
|
146 0.5739625033 0.000000000
|
|
147 0.5933593547 0.000000000
|
|
148 0.5933596100 0.000000000
|
|
149 0.5967717270 0.000000000
|
|
150 0.5967719160 0.000000000
|
|
151 0.6458591861 0.000000000
|
|
152 0.6458594213 0.000000000
|
|
153 0.6613279529 0.000000000
|
|
154 0.6613280415 0.000000000
|
|
155 0.6696203258 0.000000000
|
|
156 0.6696209282 0.000000000
|
|
157 0.7115885374 0.000000000
|
|
158 0.7115885531 0.000000000
|
|
159 0.7336628209 0.000000000
|
|
160 0.7336628748 0.000000000
|
|
161 0.7458650804 0.000000000
|
|
162 0.7458653407 0.000000000
|
|
163 0.7526570757 0.000000000
|
|
164 0.7526572910 0.000000000
|
|
165 0.7694218803 0.000000000
|
|
166 0.7694220510 0.000000000
|
|
167 0.7829518644 0.000000000
|
|
168 0.7829520720 0.000000000
|
|
169 0.7943694508 0.000000000
|
|
170 0.7943696057 0.000000000
|
|
171 0.8185240173 0.000000000
|
|
172 0.8185242607 0.000000000
|
|
173 0.8256580481 0.000000000
|
|
174 0.8256581587 0.000000000
|
|
175 0.8449757535 0.000000000
|
|
176 0.8449758620 0.000000000
|
|
177 0.8713835048 0.000000000
|
|
178 0.8713838849 0.000000000
|
|
179 0.8842163935 0.000000000
|
|
180 0.8842167841 0.000000000
|
|
181 0.8903303831 0.000000000
|
|
182 0.8903305056 0.000000000
|
|
183 0.8990865417 0.000000000
|
|
184 0.8990867836 0.000000000
|
|
185 0.9051609268 0.000000000
|
|
186 0.9051612458 0.000000000
|
|
187 0.9198189354 0.000000000
|
|
188 0.9198191558 0.000000000
|
|
189 0.9329810453 0.000000000
|
|
190 0.9329813096 0.000000000
|
|
191 0.9363484070 0.000000000
|
|
192 0.9363488856 0.000000000
|
|
193 0.9573425109 0.000000000
|
|
194 0.9573426439 0.000000000
|
|
195 0.9763778691 0.000000000
|
|
196 0.9763782096 0.000000000
|
|
197 0.9853664615 0.000000000
|
|
198 0.9853668958 0.000000000
|
|
|
|
|
|
11 0.7500000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352756 1.000000000
|
|
2 -2.763352752 1.000000000
|
|
3 -2.763351831 1.000000000
|
|
4 -2.763351825 1.000000000
|
|
5 -2.763350389 1.000000000
|
|
6 -2.763350386 1.000000000
|
|
7 -2.763347086 1.000000000
|
|
8 -2.763347085 1.000000000
|
|
9 -2.669479190 1.000000000
|
|
10 -2.669479182 1.000000000
|
|
11 -2.669478047 1.000000000
|
|
12 -2.669478038 1.000000000
|
|
13 -2.669476979 1.000000000
|
|
14 -2.669476978 1.000000000
|
|
15 -2.669475928 1.000000000
|
|
16 -2.669475925 1.000000000
|
|
17 -2.669438183 1.000000000
|
|
18 -2.669438180 1.000000000
|
|
19 -2.669434207 1.000000000
|
|
20 -2.669434203 1.000000000
|
|
21 -1.909412630 1.000000000
|
|
22 -1.909412617 1.000000000
|
|
23 -1.909410765 1.000000000
|
|
24 -1.909410753 1.000000000
|
|
25 -1.905819228 1.000000000
|
|
26 -1.905819218 1.000000000
|
|
27 -1.851156431 1.000000000
|
|
28 -1.851156368 1.000000000
|
|
29 -1.795951312 1.000000000
|
|
30 -1.795951285 1.000000000
|
|
31 -1.794098312 1.000000000
|
|
32 -1.794098301 1.000000000
|
|
33 -1.794095309 1.000000000
|
|
34 -1.794095301 1.000000000
|
|
35 -1.790800509 1.000000000
|
|
36 -1.790800485 1.000000000
|
|
37 -1.415290367 1.000000000
|
|
38 -1.415290190 1.000000000
|
|
39 -1.415217439 1.000000000
|
|
40 -1.415217320 1.000000000
|
|
41 -1.189027267 1.000000000
|
|
42 -1.189027265 1.000000000
|
|
43 -0.6666995463 1.000000000
|
|
44 -0.6666995458 1.000000000
|
|
45 -0.6626523487 1.000000000
|
|
46 -0.6626523477 1.000000000
|
|
47 -0.5087749023 1.000000000
|
|
48 -0.5087748391 1.000000000
|
|
49 -0.4654293127 1.000000000
|
|
50 -0.4654291288 1.000000000
|
|
51 -0.4648770596 1.000000000
|
|
52 -0.4648768014 1.000000000
|
|
53 -0.3657211916 1.000000000
|
|
54 -0.3657211371 1.000000000
|
|
55 -0.3442395294 1.000000000
|
|
56 -0.3442394053 1.000000000
|
|
57 -0.3377093587 1.000000000
|
|
58 -0.3377092543 1.000000000
|
|
59 -0.3260192664 1.000000000
|
|
60 -0.3260192256 1.000000000
|
|
61 -0.3139754465 1.000000000
|
|
62 -0.3139754104 1.000000000
|
|
63 -0.3084402224 1.000000000
|
|
64 -0.3084401967 1.000000000
|
|
65 -0.1761638331 1.000000000
|
|
66 -0.1761637271 1.000000000
|
|
67 -0.1648636299 1.000000000
|
|
68 -0.1648635212 1.000000000
|
|
69 -0.1138160130 1.000000000
|
|
70 -0.1138157847 1.000000000
|
|
71 -0.1099616799 1.000000000
|
|
72 -0.1099614928 1.000000000
|
|
73 -0.9586804388E-01 1.000000000
|
|
74 -0.9586782123E-01 1.000000000
|
|
75 -0.9367915412E-01 1.000000000
|
|
76 -0.9367901826E-01 1.000000000
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|
77 0.5924555834E-01 1.000000000
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78 0.5924605103E-01 1.000000000
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|
79 0.6473016980E-01 1.000000000
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|
80 0.6473036281E-01 1.000000000
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|
81 0.8749729799E-01 1.000000000
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|
82 0.8749745882E-01 1.000000000
|
|
83 0.1019298558 1.000000000
|
|
84 0.1019300410 1.000000000
|
|
85 0.1094167677 1.000000000
|
|
86 0.1094169912 1.000000000
|
|
87 0.1103825914 1.000000000
|
|
88 0.1103827065 1.000000000
|
|
89 0.1452653955 1.000000000
|
|
90 0.1452655553 1.000000000
|
|
91 0.1653878341 1.000000000
|
|
92 0.1653879373 1.000000000
|
|
93 0.1735290578 1.000000000
|
|
94 0.1735291609 1.000000000
|
|
95 0.1957714448 1.000000000
|
|
96 0.1957714722 1.000000000
|
|
97 0.1986997274 1.000000000
|
|
98 0.1986997854 1.000000000
|
|
99 0.2095250158 1.000000000
|
|
100 0.2095250776 1.000000000
|
|
101 0.2102844587 1.000000000
|
|
102 0.2102844864 1.000000000
|
|
103 0.2242694386 1.000000000
|
|
104 0.2242695095 1.000000000
|
|
105 0.2271223526 1.000000000
|
|
106 0.2271224355 1.000000000
|
|
107 0.2378912919 1.000000000
|
|
108 0.2378913241 1.000000000
|
|
109 0.2391807582 1.000000000
|
|
110 0.2391807973 1.000000000
|
|
111 0.2474958067 1.000000000
|
|
112 0.2474958545 1.000000000
|
|
113 0.2737783994 1.000000000
|
|
114 0.2737786364 1.000000000
|
|
115 0.2872374104 0.9999955892
|
|
116 0.2872375950 0.9999955884
|
|
117 0.2995062140 0.5156563384
|
|
118 0.2995063006 0.5156347072
|
|
119 0.4196598563 0.000000000
|
|
120 0.4196603445 0.000000000
|
|
121 0.4357708690 0.000000000
|
|
122 0.4357709704 0.000000000
|
|
123 0.4486212596 0.000000000
|
|
124 0.4486217269 0.000000000
|
|
125 0.4511032152 0.000000000
|
|
126 0.4511034642 0.000000000
|
|
127 0.4703340702 0.000000000
|
|
128 0.4703341189 0.000000000
|
|
129 0.4732501396 0.000000000
|
|
130 0.4732502888 0.000000000
|
|
131 0.4803917898 0.000000000
|
|
132 0.4803919614 0.000000000
|
|
133 0.4936396656 0.000000000
|
|
134 0.4936398748 0.000000000
|
|
135 0.4973573965 0.000000000
|
|
136 0.4973575059 0.000000000
|
|
137 0.5124800187 0.000000000
|
|
138 0.5124802335 0.000000000
|
|
139 0.5143048440 0.000000000
|
|
140 0.5143049399 0.000000000
|
|
141 0.5633965475 0.000000000
|
|
142 0.5633967886 0.000000000
|
|
143 0.5726699213 0.000000000
|
|
144 0.5726701016 0.000000000
|
|
145 0.5914473976 0.000000000
|
|
146 0.5914476103 0.000000000
|
|
147 0.5937927784 0.000000000
|
|
148 0.5937929191 0.000000000
|
|
149 0.5979928334 0.000000000
|
|
150 0.5979933381 0.000000000
|
|
151 0.6588690786 0.000000000
|
|
152 0.6588693134 0.000000000
|
|
153 0.6621766540 0.000000000
|
|
154 0.6621767044 0.000000000
|
|
155 0.6824173963 0.000000000
|
|
156 0.6824179913 0.000000000
|
|
157 0.7075666203 0.000000000
|
|
158 0.7075666537 0.000000000
|
|
159 0.7244643875 0.000000000
|
|
160 0.7244645079 0.000000000
|
|
161 0.7340041659 0.000000000
|
|
162 0.7340044476 0.000000000
|
|
163 0.7399280436 0.000000000
|
|
164 0.7399283140 0.000000000
|
|
165 0.7871559401 0.000000000
|
|
166 0.7871560802 0.000000000
|
|
167 0.7960747329 0.000000000
|
|
168 0.7960748564 0.000000000
|
|
169 0.8122380799 0.000000000
|
|
170 0.8122382281 0.000000000
|
|
171 0.8183694155 0.000000000
|
|
172 0.8183694900 0.000000000
|
|
173 0.8231133316 0.000000000
|
|
174 0.8231135101 0.000000000
|
|
175 0.8434820976 0.000000000
|
|
176 0.8434823296 0.000000000
|
|
177 0.8775818462 0.000000000
|
|
178 0.8775818784 0.000000000
|
|
179 0.8826808413 0.000000000
|
|
180 0.8826810461 0.000000000
|
|
181 0.8995631621 0.000000000
|
|
182 0.8995636355 0.000000000
|
|
183 0.9043635982 0.000000000
|
|
184 0.9043641322 0.000000000
|
|
185 0.9058404555 0.000000000
|
|
186 0.9058407281 0.000000000
|
|
187 0.9124538302 0.000000000
|
|
188 0.9124543915 0.000000000
|
|
189 0.9298360899 0.000000000
|
|
190 0.9298361648 0.000000000
|
|
191 0.9373456752 0.000000000
|
|
192 0.9373460860 0.000000000
|
|
193 0.9512070120 0.000000000
|
|
194 0.9512071994 0.000000000
|
|
195 0.9972867163 0.000000000
|
|
196 0.9972877577 0.000000000
|
|
197 1.009863727 0.000000000
|
|
198 1.009863897 0.000000000
|
|
|
|
|
|
12 0.8750000000 0.1250000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763354688 1.000000000
|
|
2 -2.763354688 1.000000000
|
|
3 -2.763352902 1.000000000
|
|
4 -2.763352899 1.000000000
|
|
5 -2.763349513 1.000000000
|
|
6 -2.763349512 1.000000000
|
|
7 -2.763330993 1.000000000
|
|
8 -2.763330990 1.000000000
|
|
9 -2.669478234 1.000000000
|
|
10 -2.669478231 1.000000000
|
|
11 -2.669478073 1.000000000
|
|
12 -2.669478069 1.000000000
|
|
13 -2.669477246 1.000000000
|
|
14 -2.669477242 1.000000000
|
|
15 -2.669465224 1.000000000
|
|
16 -2.669465216 1.000000000
|
|
17 -2.669439638 1.000000000
|
|
18 -2.669439635 1.000000000
|
|
19 -2.669434594 1.000000000
|
|
20 -2.669434591 1.000000000
|
|
21 -1.909412982 1.000000000
|
|
22 -1.909412964 1.000000000
|
|
23 -1.909411794 1.000000000
|
|
24 -1.909411787 1.000000000
|
|
25 -1.905820068 1.000000000
|
|
26 -1.905820058 1.000000000
|
|
27 -1.851302452 1.000000000
|
|
28 -1.851302389 1.000000000
|
|
29 -1.795951510 1.000000000
|
|
30 -1.795951486 1.000000000
|
|
31 -1.794099874 1.000000000
|
|
32 -1.794099855 1.000000000
|
|
33 -1.794096124 1.000000000
|
|
34 -1.794096113 1.000000000
|
|
35 -1.790800718 1.000000000
|
|
36 -1.790800694 1.000000000
|
|
37 -1.415317698 1.000000000
|
|
38 -1.415317601 1.000000000
|
|
39 -1.415273633 1.000000000
|
|
40 -1.415273582 1.000000000
|
|
41 -1.189028537 1.000000000
|
|
42 -1.189028534 1.000000000
|
|
43 -0.6671614595 1.000000000
|
|
44 -0.6671614592 1.000000000
|
|
45 -0.6622906724 1.000000000
|
|
46 -0.6622906714 1.000000000
|
|
47 -0.5086996308 1.000000000
|
|
48 -0.5086995643 1.000000000
|
|
49 -0.4649555295 1.000000000
|
|
50 -0.4649553715 1.000000000
|
|
51 -0.4646342141 1.000000000
|
|
52 -0.4646340211 1.000000000
|
|
53 -0.3673040255 1.000000000
|
|
54 -0.3673039800 1.000000000
|
|
55 -0.3454572850 1.000000000
|
|
56 -0.3454571566 1.000000000
|
|
57 -0.3422807114 1.000000000
|
|
58 -0.3422805993 1.000000000
|
|
59 -0.3210161973 1.000000000
|
|
60 -0.3210161681 1.000000000
|
|
61 -0.3098408371 1.000000000
|
|
62 -0.3098408109 1.000000000
|
|
63 -0.3061431594 1.000000000
|
|
64 -0.3061431351 1.000000000
|
|
65 -0.1797166789 1.000000000
|
|
66 -0.1797165787 1.000000000
|
|
67 -0.1654163745 1.000000000
|
|
68 -0.1654162560 1.000000000
|
|
69 -0.1171793867 1.000000000
|
|
70 -0.1171792322 1.000000000
|
|
71 -0.1162169373 1.000000000
|
|
72 -0.1162167141 1.000000000
|
|
73 -0.9544296064E-01 1.000000000
|
|
74 -0.9544280024E-01 1.000000000
|
|
75 -0.9531409236E-01 1.000000000
|
|
76 -0.9531383614E-01 1.000000000
|
|
77 0.5643084036E-01 1.000000000
|
|
78 0.5643133867E-01 1.000000000
|
|
79 0.6094977774E-01 1.000000000
|
|
80 0.6095000008E-01 1.000000000
|
|
81 0.7674049184E-01 1.000000000
|
|
82 0.7674066135E-01 1.000000000
|
|
83 0.1078286219 1.000000000
|
|
84 0.1078288616 1.000000000
|
|
85 0.1109529483 1.000000000
|
|
86 0.1109531177 1.000000000
|
|
87 0.1112453851 1.000000000
|
|
88 0.1112454726 1.000000000
|
|
89 0.1551471539 1.000000000
|
|
90 0.1551472714 1.000000000
|
|
91 0.1729734935 1.000000000
|
|
92 0.1729735395 1.000000000
|
|
93 0.1788821886 1.000000000
|
|
94 0.1788822758 1.000000000
|
|
95 0.2062904241 1.000000000
|
|
96 0.2062904314 1.000000000
|
|
97 0.2063233111 1.000000000
|
|
98 0.2063233408 1.000000000
|
|
99 0.2072357251 1.000000000
|
|
100 0.2072357424 1.000000000
|
|
101 0.2204200087 1.000000000
|
|
102 0.2204200682 1.000000000
|
|
103 0.2297278436 1.000000000
|
|
104 0.2297279276 1.000000000
|
|
105 0.2328530065 1.000000000
|
|
106 0.2328530613 1.000000000
|
|
107 0.2450300438 1.000000000
|
|
108 0.2450300611 1.000000000
|
|
109 0.2455544262 1.000000000
|
|
110 0.2455544537 1.000000000
|
|
111 0.2494474622 1.000000000
|
|
112 0.2494475037 1.000000000
|
|
113 0.2718797335 1.000000000
|
|
114 0.2718799874 1.000000000
|
|
115 0.2806959172 0.9999999936
|
|
116 0.2806961040 0.9999999936
|
|
117 0.2922653088 0.9993273087
|
|
118 0.2922654005 0.9993272470
|
|
119 0.4128460810 0.000000000
|
|
120 0.4128465489 0.000000000
|
|
121 0.4238970376 0.000000000
|
|
122 0.4238971203 0.000000000
|
|
123 0.4361647395 0.000000000
|
|
124 0.4361651779 0.000000000
|
|
125 0.4378215404 0.000000000
|
|
126 0.4378216610 0.000000000
|
|
127 0.4708817604 0.000000000
|
|
128 0.4708819106 0.000000000
|
|
129 0.4722692087 0.000000000
|
|
130 0.4722693187 0.000000000
|
|
131 0.4758309275 0.000000000
|
|
132 0.4758309811 0.000000000
|
|
133 0.4796095859 0.000000000
|
|
134 0.4796097235 0.000000000
|
|
135 0.4824829651 0.000000000
|
|
136 0.4824832569 0.000000000
|
|
137 0.4960803138 0.000000000
|
|
138 0.4960803877 0.000000000
|
|
139 0.4968661965 0.000000000
|
|
140 0.4968663722 0.000000000
|
|
141 0.5804573190 0.000000000
|
|
142 0.5804575780 0.000000000
|
|
143 0.5833534327 0.000000000
|
|
144 0.5833535436 0.000000000
|
|
145 0.5916308372 0.000000000
|
|
146 0.5916308846 0.000000000
|
|
147 0.5943048793 0.000000000
|
|
148 0.5943049004 0.000000000
|
|
149 0.6025241992 0.000000000
|
|
150 0.6025249755 0.000000000
|
|
151 0.6531960852 0.000000000
|
|
152 0.6531961358 0.000000000
|
|
153 0.6744046023 0.000000000
|
|
154 0.6744048490 0.000000000
|
|
155 0.6879302727 0.000000000
|
|
156 0.6879308754 0.000000000
|
|
157 0.7066397417 0.000000000
|
|
158 0.7066397696 0.000000000
|
|
159 0.7246681889 0.000000000
|
|
160 0.7246683325 0.000000000
|
|
161 0.7340212432 0.000000000
|
|
162 0.7340214256 0.000000000
|
|
163 0.7430520362 0.000000000
|
|
164 0.7430522105 0.000000000
|
|
165 0.7785884907 0.000000000
|
|
166 0.7785886806 0.000000000
|
|
167 0.8008098302 0.000000000
|
|
168 0.8008098889 0.000000000
|
|
169 0.8145777091 0.000000000
|
|
170 0.8145778702 0.000000000
|
|
171 0.8156581063 0.000000000
|
|
172 0.8156582028 0.000000000
|
|
173 0.8385701236 0.000000000
|
|
174 0.8385703561 0.000000000
|
|
175 0.8519614006 0.000000000
|
|
176 0.8519615395 0.000000000
|
|
177 0.8763457664 0.000000000
|
|
178 0.8763458582 0.000000000
|
|
179 0.8813977544 0.000000000
|
|
180 0.8813979025 0.000000000
|
|
181 0.8828961011 0.000000000
|
|
182 0.8828963264 0.000000000
|
|
183 0.8973834709 0.000000000
|
|
184 0.8973836135 0.000000000
|
|
185 0.9004483994 0.000000000
|
|
186 0.9004485134 0.000000000
|
|
187 0.9271303131 0.000000000
|
|
188 0.9271304285 0.000000000
|
|
189 0.9401615617 0.000000000
|
|
190 0.9401618200 0.000000000
|
|
191 0.9414636976 0.000000000
|
|
192 0.9414639966 0.000000000
|
|
193 0.9661349828 0.000000000
|
|
194 0.9661351591 0.000000000
|
|
195 0.9809284535 0.000000000
|
|
196 0.9809286837 0.000000000
|
|
197 1.027848732 0.000000000
|
|
198 1.027848968 0.000000000
|
|
|
|
|
|
13 0.2500000000 0.2500000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353640 1.000000000
|
|
2 -2.763353639 1.000000000
|
|
3 -2.763351983 1.000000000
|
|
4 -2.763351981 1.000000000
|
|
5 -2.763348241 1.000000000
|
|
6 -2.763348239 1.000000000
|
|
7 -2.763341044 1.000000000
|
|
8 -2.763341042 1.000000000
|
|
9 -2.669478683 1.000000000
|
|
10 -2.669478675 1.000000000
|
|
11 -2.669478297 1.000000000
|
|
12 -2.669478295 1.000000000
|
|
13 -2.669475155 1.000000000
|
|
14 -2.669475146 1.000000000
|
|
15 -2.669472193 1.000000000
|
|
16 -2.669472189 1.000000000
|
|
17 -2.669437411 1.000000000
|
|
18 -2.669437408 1.000000000
|
|
19 -2.669435549 1.000000000
|
|
20 -2.669435546 1.000000000
|
|
21 -1.909408888 1.000000000
|
|
22 -1.909408877 1.000000000
|
|
23 -1.909404497 1.000000000
|
|
24 -1.909404484 1.000000000
|
|
25 -1.905810538 1.000000000
|
|
26 -1.905810528 1.000000000
|
|
27 -1.851157791 1.000000000
|
|
28 -1.851157746 1.000000000
|
|
29 -1.795947933 1.000000000
|
|
30 -1.795947905 1.000000000
|
|
31 -1.794091593 1.000000000
|
|
32 -1.794091586 1.000000000
|
|
33 -1.794087976 1.000000000
|
|
34 -1.794087956 1.000000000
|
|
35 -1.790791565 1.000000000
|
|
36 -1.790791541 1.000000000
|
|
37 -1.415369035 1.000000000
|
|
38 -1.415368922 1.000000000
|
|
39 -1.415123745 1.000000000
|
|
40 -1.415123604 1.000000000
|
|
41 -1.189025013 1.000000000
|
|
42 -1.189025011 1.000000000
|
|
43 -0.6655002776 1.000000000
|
|
44 -0.6655002770 1.000000000
|
|
45 -0.6636643082 1.000000000
|
|
46 -0.6636643076 1.000000000
|
|
47 -0.5088857304 1.000000000
|
|
48 -0.5088856473 1.000000000
|
|
49 -0.4662824837 1.000000000
|
|
50 -0.4662823685 1.000000000
|
|
51 -0.4651148027 1.000000000
|
|
52 -0.4651146127 1.000000000
|
|
53 -0.3623107412 1.000000000
|
|
54 -0.3623106667 1.000000000
|
|
55 -0.3399017202 1.000000000
|
|
56 -0.3399016463 1.000000000
|
|
57 -0.3343575979 1.000000000
|
|
58 -0.3343575500 1.000000000
|
|
59 -0.3325297080 1.000000000
|
|
60 -0.3325296680 1.000000000
|
|
61 -0.3233334397 1.000000000
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|
62 -0.3233333626 1.000000000
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|
63 -0.3102838198 1.000000000
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|
64 -0.3102838005 1.000000000
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|
65 -0.1693189181 1.000000000
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66 -0.1693188146 1.000000000
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|
67 -0.1643490721 1.000000000
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68 -0.1643489697 1.000000000
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69 -0.1055526456 1.000000000
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|
70 -0.1055524530 1.000000000
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|
71 -0.9812795892E-01 1.000000000
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|
72 -0.9812779535E-01 1.000000000
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|
73 -0.9649739810E-01 1.000000000
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74 -0.9649719134E-01 1.000000000
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|
75 -0.9220446687E-01 1.000000000
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76 -0.9220421495E-01 1.000000000
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77 0.5842238904E-01 1.000000000
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78 0.5842271245E-01 1.000000000
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79 0.7989412281E-01 1.000000000
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80 0.7989442314E-01 1.000000000
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81 0.9364125253E-01 1.000000000
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82 0.9364148466E-01 1.000000000
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83 0.1013114481 1.000000000
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|
84 0.1013115877 1.000000000
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|
85 0.1040108087 1.000000000
|
|
86 0.1040109883 1.000000000
|
|
87 0.1091861820 1.000000000
|
|
88 0.1091862701 1.000000000
|
|
89 0.1327826495 1.000000000
|
|
90 0.1327828131 1.000000000
|
|
91 0.1453180849 1.000000000
|
|
92 0.1453183934 1.000000000
|
|
93 0.1660674839 1.000000000
|
|
94 0.1660675139 1.000000000
|
|
95 0.1805311169 1.000000000
|
|
96 0.1805311851 1.000000000
|
|
97 0.1891486733 1.000000000
|
|
98 0.1891487389 1.000000000
|
|
99 0.1969635535 1.000000000
|
|
100 0.1969636177 1.000000000
|
|
101 0.2121074324 1.000000000
|
|
102 0.2121075420 1.000000000
|
|
103 0.2132869358 1.000000000
|
|
104 0.2132869546 1.000000000
|
|
105 0.2173984287 1.000000000
|
|
106 0.2173984648 1.000000000
|
|
107 0.2319111059 1.000000000
|
|
108 0.2319111361 1.000000000
|
|
109 0.2336647994 1.000000000
|
|
110 0.2336648358 1.000000000
|
|
111 0.2345121255 1.000000000
|
|
112 0.2345121452 1.000000000
|
|
113 0.2863900095 0.9999981098
|
|
114 0.2863901547 0.9999981096
|
|
115 0.2910455201 0.9998012650
|
|
116 0.2910456185 0.9998012455
|
|
117 0.3067092883 0.7917851113E-03
|
|
118 0.3067093907 0.7917041126E-03
|
|
119 0.4263939254 0.000000000
|
|
120 0.4263940542 0.000000000
|
|
121 0.4542278728 0.000000000
|
|
122 0.4542281179 0.000000000
|
|
123 0.4656670142 0.000000000
|
|
124 0.4656671876 0.000000000
|
|
125 0.4821913857 0.000000000
|
|
126 0.4821916157 0.000000000
|
|
127 0.4841364315 0.000000000
|
|
128 0.4841366371 0.000000000
|
|
129 0.4844534397 0.000000000
|
|
130 0.4844536411 0.000000000
|
|
131 0.4943281106 0.000000000
|
|
132 0.4943285853 0.000000000
|
|
133 0.5245199235 0.000000000
|
|
134 0.5245201029 0.000000000
|
|
135 0.5252989105 0.000000000
|
|
136 0.5252989424 0.000000000
|
|
137 0.5287611345 0.000000000
|
|
138 0.5287613354 0.000000000
|
|
139 0.5304919863 0.000000000
|
|
140 0.5304923313 0.000000000
|
|
141 0.5493200942 0.000000000
|
|
142 0.5493202331 0.000000000
|
|
143 0.5545967902 0.000000000
|
|
144 0.5545969086 0.000000000
|
|
145 0.5832326746 0.000000000
|
|
146 0.5832328310 0.000000000
|
|
147 0.5882975834 0.000000000
|
|
148 0.5882977357 0.000000000
|
|
149 0.5998984237 0.000000000
|
|
150 0.5998985464 0.000000000
|
|
151 0.6469985387 0.000000000
|
|
152 0.6469986241 0.000000000
|
|
153 0.6515721212 0.000000000
|
|
154 0.6515728145 0.000000000
|
|
155 0.6781927017 0.000000000
|
|
156 0.6781928649 0.000000000
|
|
157 0.6898437895 0.000000000
|
|
158 0.6898439310 0.000000000
|
|
159 0.7263772915 0.000000000
|
|
160 0.7263773903 0.000000000
|
|
161 0.7336523087 0.000000000
|
|
162 0.7336527017 0.000000000
|
|
163 0.7601057600 0.000000000
|
|
164 0.7601058457 0.000000000
|
|
165 0.7619839315 0.000000000
|
|
166 0.7619840499 0.000000000
|
|
167 0.7631894565 0.000000000
|
|
168 0.7631895140 0.000000000
|
|
169 0.7907924376 0.000000000
|
|
170 0.7907925773 0.000000000
|
|
171 0.8352157598 0.000000000
|
|
172 0.8352159298 0.000000000
|
|
173 0.8362055275 0.000000000
|
|
174 0.8362056694 0.000000000
|
|
175 0.8446948795 0.000000000
|
|
176 0.8446952048 0.000000000
|
|
177 0.8712465895 0.000000000
|
|
178 0.8712466334 0.000000000
|
|
179 0.8854393037 0.000000000
|
|
180 0.8854394873 0.000000000
|
|
181 0.9006831918 0.000000000
|
|
182 0.9006832706 0.000000000
|
|
183 0.9059788060 0.000000000
|
|
184 0.9059790983 0.000000000
|
|
185 0.9106681141 0.000000000
|
|
186 0.9106682563 0.000000000
|
|
187 0.9162954953 0.000000000
|
|
188 0.9162956266 0.000000000
|
|
189 0.9199200013 0.000000000
|
|
190 0.9199202225 0.000000000
|
|
191 0.9271641624 0.000000000
|
|
192 0.9271642346 0.000000000
|
|
193 0.9468071429 0.000000000
|
|
194 0.9468075215 0.000000000
|
|
195 0.9558151507 0.000000000
|
|
196 0.9558152225 0.000000000
|
|
197 0.9749714627 0.000000000
|
|
198 0.9749714875 0.000000000
|
|
|
|
|
|
14 0.3750000000 0.2500000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353136 1.000000000
|
|
2 -2.763353135 1.000000000
|
|
3 -2.763350116 1.000000000
|
|
4 -2.763350114 1.000000000
|
|
5 -2.763346078 1.000000000
|
|
6 -2.763346075 1.000000000
|
|
7 -2.763339714 1.000000000
|
|
8 -2.763339713 1.000000000
|
|
9 -2.669478247 1.000000000
|
|
10 -2.669478243 1.000000000
|
|
11 -2.669477649 1.000000000
|
|
12 -2.669477642 1.000000000
|
|
13 -2.669474207 1.000000000
|
|
14 -2.669474199 1.000000000
|
|
15 -2.669470887 1.000000000
|
|
16 -2.669470884 1.000000000
|
|
17 -2.669436814 1.000000000
|
|
18 -2.669436811 1.000000000
|
|
19 -2.669435586 1.000000000
|
|
20 -2.669435583 1.000000000
|
|
21 -1.909408669 1.000000000
|
|
22 -1.909408652 1.000000000
|
|
23 -1.909406042 1.000000000
|
|
24 -1.909406030 1.000000000
|
|
25 -1.905811433 1.000000000
|
|
26 -1.905811423 1.000000000
|
|
27 -1.850894376 1.000000000
|
|
28 -1.850894315 1.000000000
|
|
29 -1.795948497 1.000000000
|
|
30 -1.795948469 1.000000000
|
|
31 -1.794092124 1.000000000
|
|
32 -1.794092117 1.000000000
|
|
33 -1.794088569 1.000000000
|
|
34 -1.794088558 1.000000000
|
|
35 -1.790792719 1.000000000
|
|
36 -1.790792695 1.000000000
|
|
37 -1.415244853 1.000000000
|
|
38 -1.415244697 1.000000000
|
|
39 -1.415105004 1.000000000
|
|
40 -1.415104850 1.000000000
|
|
41 -1.189024373 1.000000000
|
|
42 -1.189024370 1.000000000
|
|
43 -0.6646902896 1.000000000
|
|
44 -0.6646902889 1.000000000
|
|
45 -0.6644007307 1.000000000
|
|
46 -0.6644007300 1.000000000
|
|
47 -0.5088442643 1.000000000
|
|
48 -0.5088441853 1.000000000
|
|
49 -0.4662804243 1.000000000
|
|
50 -0.4662803597 1.000000000
|
|
51 -0.4651458125 1.000000000
|
|
52 -0.4651456186 1.000000000
|
|
53 -0.3622399503 1.000000000
|
|
54 -0.3622398805 1.000000000
|
|
55 -0.3467558109 1.000000000
|
|
56 -0.3467557327 1.000000000
|
|
57 -0.3363208048 1.000000000
|
|
58 -0.3363207099 1.000000000
|
|
59 -0.3271265188 1.000000000
|
|
60 -0.3271264534 1.000000000
|
|
61 -0.3203884677 1.000000000
|
|
62 -0.3203884106 1.000000000
|
|
63 -0.3117012797 1.000000000
|
|
64 -0.3117012542 1.000000000
|
|
65 -0.1660513902 1.000000000
|
|
66 -0.1660512837 1.000000000
|
|
67 -0.1647559320 1.000000000
|
|
68 -0.1647558212 1.000000000
|
|
69 -0.1005435549 1.000000000
|
|
70 -0.1005433669 1.000000000
|
|
71 -0.9828400116E-01 1.000000000
|
|
72 -0.9828377032E-01 1.000000000
|
|
73 -0.9352590429E-01 1.000000000
|
|
74 -0.9352577937E-01 1.000000000
|
|
75 -0.9208010669E-01 1.000000000
|
|
76 -0.9207989280E-01 1.000000000
|
|
77 0.6055810054E-01 1.000000000
|
|
78 0.6055839850E-01 1.000000000
|
|
79 0.7497018196E-01 1.000000000
|
|
80 0.7497050542E-01 1.000000000
|
|
81 0.9055131992E-01 1.000000000
|
|
82 0.9055139323E-01 1.000000000
|
|
83 0.9584239595E-01 1.000000000
|
|
84 0.9584254708E-01 1.000000000
|
|
85 0.9850583303E-01 1.000000000
|
|
86 0.9850611937E-01 1.000000000
|
|
87 0.1070563875 1.000000000
|
|
88 0.1070565069 1.000000000
|
|
89 0.1382921036 1.000000000
|
|
90 0.1382922694 1.000000000
|
|
91 0.1496059166 1.000000000
|
|
92 0.1496061331 1.000000000
|
|
93 0.1626099890 1.000000000
|
|
94 0.1626100515 1.000000000
|
|
95 0.1832455938 1.000000000
|
|
96 0.1832456085 1.000000000
|
|
97 0.1851019584 1.000000000
|
|
98 0.1851020624 1.000000000
|
|
99 0.1967891144 1.000000000
|
|
100 0.1967892428 1.000000000
|
|
101 0.2074710290 1.000000000
|
|
102 0.2074711602 1.000000000
|
|
103 0.2120064072 1.000000000
|
|
104 0.2120064355 1.000000000
|
|
105 0.2158276315 1.000000000
|
|
106 0.2158276746 1.000000000
|
|
107 0.2247629261 1.000000000
|
|
108 0.2247629843 1.000000000
|
|
109 0.2254931391 1.000000000
|
|
110 0.2254931825 1.000000000
|
|
111 0.2377696939 1.000000000
|
|
112 0.2377697418 1.000000000
|
|
113 0.2852948744 0.9999993678
|
|
114 0.2852950975 0.9999993676
|
|
115 0.2935974042 0.9974559625
|
|
116 0.2935975431 0.9974556100
|
|
117 0.3098730813 0.3349029215E-04
|
|
118 0.3098731558 0.3348779673E-04
|
|
119 0.4296226729 0.000000000
|
|
120 0.4296227883 0.000000000
|
|
121 0.4486738674 0.000000000
|
|
122 0.4486741933 0.000000000
|
|
123 0.4751240854 0.000000000
|
|
124 0.4751243439 0.000000000
|
|
125 0.4841965644 0.000000000
|
|
126 0.4841968287 0.000000000
|
|
127 0.4877620907 0.000000000
|
|
128 0.4877623157 0.000000000
|
|
129 0.5010050789 0.000000000
|
|
130 0.5010053913 0.000000000
|
|
131 0.5095508458 0.000000000
|
|
132 0.5095512851 0.000000000
|
|
133 0.5215048336 0.000000000
|
|
134 0.5215050093 0.000000000
|
|
135 0.5271666566 0.000000000
|
|
136 0.5271670713 0.000000000
|
|
137 0.5315078113 0.000000000
|
|
138 0.5315080079 0.000000000
|
|
139 0.5460754254 0.000000000
|
|
140 0.5460757211 0.000000000
|
|
141 0.5498138811 0.000000000
|
|
142 0.5498142051 0.000000000
|
|
143 0.5586168820 0.000000000
|
|
144 0.5586174023 0.000000000
|
|
145 0.5774453762 0.000000000
|
|
146 0.5774458689 0.000000000
|
|
147 0.5969384979 0.000000000
|
|
148 0.5969386142 0.000000000
|
|
149 0.6025102212 0.000000000
|
|
150 0.6025104015 0.000000000
|
|
151 0.6283299965 0.000000000
|
|
152 0.6283301050 0.000000000
|
|
153 0.6520298413 0.000000000
|
|
154 0.6520300191 0.000000000
|
|
155 0.6553368858 0.000000000
|
|
156 0.6553374927 0.000000000
|
|
157 0.7079229246 0.000000000
|
|
158 0.7079231118 0.000000000
|
|
159 0.7209632494 0.000000000
|
|
160 0.7209635343 0.000000000
|
|
161 0.7356914715 0.000000000
|
|
162 0.7356916318 0.000000000
|
|
163 0.7449396236 0.000000000
|
|
164 0.7449397165 0.000000000
|
|
165 0.7665807676 0.000000000
|
|
166 0.7665809608 0.000000000
|
|
167 0.7731290728 0.000000000
|
|
168 0.7731293535 0.000000000
|
|
169 0.7885588803 0.000000000
|
|
170 0.7885590967 0.000000000
|
|
171 0.7981389059 0.000000000
|
|
172 0.7981391141 0.000000000
|
|
173 0.8090750673 0.000000000
|
|
174 0.8090751711 0.000000000
|
|
175 0.8557493741 0.000000000
|
|
176 0.8557494947 0.000000000
|
|
177 0.8588638924 0.000000000
|
|
178 0.8588640546 0.000000000
|
|
179 0.8746104779 0.000000000
|
|
180 0.8746106491 0.000000000
|
|
181 0.8943040553 0.000000000
|
|
182 0.8943042344 0.000000000
|
|
183 0.8990526075 0.000000000
|
|
184 0.8990529246 0.000000000
|
|
185 0.9156591343 0.000000000
|
|
186 0.9156593961 0.000000000
|
|
187 0.9211742699 0.000000000
|
|
188 0.9211745074 0.000000000
|
|
189 0.9288785201 0.000000000
|
|
190 0.9288786887 0.000000000
|
|
191 0.9352755223 0.000000000
|
|
192 0.9352757747 0.000000000
|
|
193 0.9576771534 0.000000000
|
|
194 0.9576773788 0.000000000
|
|
195 0.9607793570 0.000000000
|
|
196 0.9607798318 0.000000000
|
|
197 0.9915905389 0.000000000
|
|
198 0.9915913104 0.000000000
|
|
|
|
|
|
15 0.5000000000 0.2500000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352183 1.000000000
|
|
2 -2.763352179 1.000000000
|
|
3 -2.763349806 1.000000000
|
|
4 -2.763349803 1.000000000
|
|
5 -2.763346513 1.000000000
|
|
6 -2.763346508 1.000000000
|
|
7 -2.763340921 1.000000000
|
|
8 -2.763340921 1.000000000
|
|
9 -2.669478148 1.000000000
|
|
10 -2.669478141 1.000000000
|
|
11 -2.669477333 1.000000000
|
|
12 -2.669477325 1.000000000
|
|
13 -2.669475004 1.000000000
|
|
14 -2.669475001 1.000000000
|
|
15 -2.669471396 1.000000000
|
|
16 -2.669471393 1.000000000
|
|
17 -2.669436400 1.000000000
|
|
18 -2.669436397 1.000000000
|
|
19 -2.669435353 1.000000000
|
|
20 -2.669435350 1.000000000
|
|
21 -1.909408689 1.000000000
|
|
22 -1.909408671 1.000000000
|
|
23 -1.909404066 1.000000000
|
|
24 -1.909404056 1.000000000
|
|
25 -1.905810655 1.000000000
|
|
26 -1.905810645 1.000000000
|
|
27 -1.850886529 1.000000000
|
|
28 -1.850886466 1.000000000
|
|
29 -1.795947738 1.000000000
|
|
30 -1.795947710 1.000000000
|
|
31 -1.794092129 1.000000000
|
|
32 -1.794092117 1.000000000
|
|
33 -1.794085754 1.000000000
|
|
34 -1.794085745 1.000000000
|
|
35 -1.790792113 1.000000000
|
|
36 -1.790792089 1.000000000
|
|
37 -1.415227472 1.000000000
|
|
38 -1.415227301 1.000000000
|
|
39 -1.415113177 1.000000000
|
|
40 -1.415113035 1.000000000
|
|
41 -1.189024473 1.000000000
|
|
42 -1.189024470 1.000000000
|
|
43 -0.6652166192 1.000000000
|
|
44 -0.6652166185 1.000000000
|
|
45 -0.6638770040 1.000000000
|
|
46 -0.6638770032 1.000000000
|
|
47 -0.5087719174 1.000000000
|
|
48 -0.5087718429 1.000000000
|
|
49 -0.4659335041 1.000000000
|
|
50 -0.4659334284 1.000000000
|
|
51 -0.4651563154 1.000000000
|
|
52 -0.4651560956 1.000000000
|
|
53 -0.3651309235 1.000000000
|
|
54 -0.3651308581 1.000000000
|
|
55 -0.3462366853 1.000000000
|
|
56 -0.3462365962 1.000000000
|
|
57 -0.3406350160 1.000000000
|
|
58 -0.3406349010 1.000000000
|
|
59 -0.3218168475 1.000000000
|
|
60 -0.3218168028 1.000000000
|
|
61 -0.3161736664 1.000000000
|
|
62 -0.3161736412 1.000000000
|
|
63 -0.3139064577 1.000000000
|
|
64 -0.3139064413 1.000000000
|
|
65 -0.1667937114 1.000000000
|
|
66 -0.1667936010 1.000000000
|
|
67 -0.1641832617 1.000000000
|
|
68 -0.1641831557 1.000000000
|
|
69 -0.1022308619 1.000000000
|
|
70 -0.1022306252 1.000000000
|
|
71 -0.9669934000E-01 1.000000000
|
|
72 -0.9669914177E-01 1.000000000
|
|
73 -0.9442455427E-01 1.000000000
|
|
74 -0.9442434892E-01 1.000000000
|
|
75 -0.9185369668E-01 1.000000000
|
|
76 -0.9185358100E-01 1.000000000
|
|
77 0.6501771829E-01 1.000000000
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|
78 0.6501793491E-01 1.000000000
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|
79 0.6642477369E-01 1.000000000
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|
80 0.6642514571E-01 1.000000000
|
|
81 0.8484410364E-01 1.000000000
|
|
82 0.8484422172E-01 1.000000000
|
|
83 0.8961753292E-01 1.000000000
|
|
84 0.8961772559E-01 1.000000000
|
|
85 0.1006778301 1.000000000
|
|
86 0.1006780886 1.000000000
|
|
87 0.1071932876 1.000000000
|
|
88 0.1071933908 1.000000000
|
|
89 0.1456538491 1.000000000
|
|
90 0.1456539721 1.000000000
|
|
91 0.1574446326 1.000000000
|
|
92 0.1574447046 1.000000000
|
|
93 0.1643950573 1.000000000
|
|
94 0.1643951486 1.000000000
|
|
95 0.1834759253 1.000000000
|
|
96 0.1834759645 1.000000000
|
|
97 0.1885148080 1.000000000
|
|
98 0.1885149647 1.000000000
|
|
99 0.1957894697 1.000000000
|
|
100 0.1957895266 1.000000000
|
|
101 0.2113446902 1.000000000
|
|
102 0.2113447442 1.000000000
|
|
103 0.2136649042 1.000000000
|
|
104 0.2136649752 1.000000000
|
|
105 0.2152988622 1.000000000
|
|
106 0.2152989336 1.000000000
|
|
107 0.2202878559 1.000000000
|
|
108 0.2202878818 1.000000000
|
|
109 0.2227384313 1.000000000
|
|
110 0.2227384743 1.000000000
|
|
111 0.2427989488 1.000000000
|
|
112 0.2427990025 1.000000000
|
|
113 0.2773749152 0.9999999998
|
|
114 0.2773751497 0.9999999998
|
|
115 0.2968321906 0.9391560478
|
|
116 0.2968323320 0.9391479668
|
|
117 0.3116802328 0.5496613068E-05
|
|
118 0.3116802933 0.5496280892E-05
|
|
119 0.4345352339 0.000000000
|
|
120 0.4345354141 0.000000000
|
|
121 0.4349680652 0.000000000
|
|
122 0.4349683398 0.000000000
|
|
123 0.4800782280 0.000000000
|
|
124 0.4800784046 0.000000000
|
|
125 0.4820722129 0.000000000
|
|
126 0.4820722832 0.000000000
|
|
127 0.4901817430 0.000000000
|
|
128 0.4901820548 0.000000000
|
|
129 0.4928662972 0.000000000
|
|
130 0.4928665668 0.000000000
|
|
131 0.5018899401 0.000000000
|
|
132 0.5018900875 0.000000000
|
|
133 0.5156191136 0.000000000
|
|
134 0.5156194493 0.000000000
|
|
135 0.5269809415 0.000000000
|
|
136 0.5269810874 0.000000000
|
|
137 0.5367360201 0.000000000
|
|
138 0.5367362824 0.000000000
|
|
139 0.5501184260 0.000000000
|
|
140 0.5501187437 0.000000000
|
|
141 0.5590807478 0.000000000
|
|
142 0.5590812715 0.000000000
|
|
143 0.5679756230 0.000000000
|
|
144 0.5679759868 0.000000000
|
|
145 0.5696039770 0.000000000
|
|
146 0.5696042997 0.000000000
|
|
147 0.5951738662 0.000000000
|
|
148 0.5951740326 0.000000000
|
|
149 0.6018721010 0.000000000
|
|
150 0.6018723758 0.000000000
|
|
151 0.6325887516 0.000000000
|
|
152 0.6325888738 0.000000000
|
|
153 0.6453423817 0.000000000
|
|
154 0.6453425135 0.000000000
|
|
155 0.6674164777 0.000000000
|
|
156 0.6674170606 0.000000000
|
|
157 0.7135934010 0.000000000
|
|
158 0.7135936439 0.000000000
|
|
159 0.7348127118 0.000000000
|
|
160 0.7348128863 0.000000000
|
|
161 0.7387775008 0.000000000
|
|
162 0.7387777186 0.000000000
|
|
163 0.7457525870 0.000000000
|
|
164 0.7457527423 0.000000000
|
|
165 0.7478349352 0.000000000
|
|
166 0.7478351661 0.000000000
|
|
167 0.7521789663 0.000000000
|
|
168 0.7521791620 0.000000000
|
|
169 0.7612334324 0.000000000
|
|
170 0.7612334925 0.000000000
|
|
171 0.7901782108 0.000000000
|
|
172 0.7901784248 0.000000000
|
|
173 0.8265652504 0.000000000
|
|
174 0.8265653781 0.000000000
|
|
175 0.8428037739 0.000000000
|
|
176 0.8428041701 0.000000000
|
|
177 0.8664816279 0.000000000
|
|
178 0.8664818952 0.000000000
|
|
179 0.8744716756 0.000000000
|
|
180 0.8744722495 0.000000000
|
|
181 0.8805886390 0.000000000
|
|
182 0.8805889139 0.000000000
|
|
183 0.9104756571 0.000000000
|
|
184 0.9104759875 0.000000000
|
|
185 0.9241735801 0.000000000
|
|
186 0.9241737105 0.000000000
|
|
187 0.9302481312 0.000000000
|
|
188 0.9302483973 0.000000000
|
|
189 0.9491357622 0.000000000
|
|
190 0.9491362257 0.000000000
|
|
191 0.9541632516 0.000000000
|
|
192 0.9541634135 0.000000000
|
|
193 0.9597511539 0.000000000
|
|
194 0.9597514405 0.000000000
|
|
195 0.9796665487 0.000000000
|
|
196 0.9796670492 0.000000000
|
|
197 0.9859867121 0.000000000
|
|
198 0.9859869936 0.000000000
|
|
|
|
|
|
16 0.6250000000 0.2500000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352047 1.000000000
|
|
2 -2.763352044 1.000000000
|
|
3 -2.763349323 1.000000000
|
|
4 -2.763349323 1.000000000
|
|
5 -2.763347154 1.000000000
|
|
6 -2.763347152 1.000000000
|
|
7 -2.763334790 1.000000000
|
|
8 -2.763334786 1.000000000
|
|
9 -2.669477466 1.000000000
|
|
10 -2.669477457 1.000000000
|
|
11 -2.669476480 1.000000000
|
|
12 -2.669476478 1.000000000
|
|
13 -2.669474643 1.000000000
|
|
14 -2.669474641 1.000000000
|
|
15 -2.669468003 1.000000000
|
|
16 -2.669467994 1.000000000
|
|
17 -2.669436809 1.000000000
|
|
18 -2.669436806 1.000000000
|
|
19 -2.669436220 1.000000000
|
|
20 -2.669436217 1.000000000
|
|
21 -1.909410953 1.000000000
|
|
22 -1.909410940 1.000000000
|
|
23 -1.909407094 1.000000000
|
|
24 -1.909407082 1.000000000
|
|
25 -1.905814892 1.000000000
|
|
26 -1.905814880 1.000000000
|
|
27 -1.851323833 1.000000000
|
|
28 -1.851323769 1.000000000
|
|
29 -1.795949700 1.000000000
|
|
30 -1.795949674 1.000000000
|
|
31 -1.794095781 1.000000000
|
|
32 -1.794095766 1.000000000
|
|
33 -1.794089637 1.000000000
|
|
34 -1.794089631 1.000000000
|
|
35 -1.790796422 1.000000000
|
|
36 -1.790796398 1.000000000
|
|
37 -1.415339073 1.000000000
|
|
38 -1.415338971 1.000000000
|
|
39 -1.415256584 1.000000000
|
|
40 -1.415256418 1.000000000
|
|
41 -1.189025484 1.000000000
|
|
42 -1.189025482 1.000000000
|
|
43 -0.6659472637 1.000000000
|
|
44 -0.6659472630 1.000000000
|
|
45 -0.6632239834 1.000000000
|
|
46 -0.6632239825 1.000000000
|
|
47 -0.5087401135 1.000000000
|
|
48 -0.5087400470 1.000000000
|
|
49 -0.4655167228 1.000000000
|
|
50 -0.4655165458 1.000000000
|
|
51 -0.4650924705 1.000000000
|
|
52 -0.4650922021 1.000000000
|
|
53 -0.3683201465 1.000000000
|
|
54 -0.3683200819 1.000000000
|
|
55 -0.3438591908 1.000000000
|
|
56 -0.3438590679 1.000000000
|
|
57 -0.3402889719 1.000000000
|
|
58 -0.3402888875 1.000000000
|
|
59 -0.3225500725 1.000000000
|
|
60 -0.3225500221 1.000000000
|
|
61 -0.3165976133 1.000000000
|
|
62 -0.3165975743 1.000000000
|
|
63 -0.3096957429 1.000000000
|
|
64 -0.3096957201 1.000000000
|
|
65 -0.1701685487 1.000000000
|
|
66 -0.1701684404 1.000000000
|
|
67 -0.1638525260 1.000000000
|
|
68 -0.1638524174 1.000000000
|
|
69 -0.1066747959 1.000000000
|
|
70 -0.1066745696 1.000000000
|
|
71 -0.1002495388 1.000000000
|
|
72 -0.1002493253 1.000000000
|
|
73 -0.9488552724E-01 1.000000000
|
|
74 -0.9488530402E-01 1.000000000
|
|
75 -0.9254125884E-01 1.000000000
|
|
76 -0.9254110771E-01 1.000000000
|
|
77 0.5905051412E-01 1.000000000
|
|
78 0.5905099692E-01 1.000000000
|
|
79 0.6373927865E-01 1.000000000
|
|
80 0.6373944858E-01 1.000000000
|
|
81 0.8792990485E-01 1.000000000
|
|
82 0.8793005365E-01 1.000000000
|
|
83 0.9100332420E-01 1.000000000
|
|
84 0.9100349405E-01 1.000000000
|
|
85 0.1048376879 1.000000000
|
|
86 0.1048378930 1.000000000
|
|
87 0.1085306573 1.000000000
|
|
88 0.1085307497 1.000000000
|
|
89 0.1472836838 1.000000000
|
|
90 0.1472838437 1.000000000
|
|
91 0.1616412220 1.000000000
|
|
92 0.1616413321 1.000000000
|
|
93 0.1686871527 1.000000000
|
|
94 0.1686872383 1.000000000
|
|
95 0.1886480810 1.000000000
|
|
96 0.1886481009 1.000000000
|
|
97 0.1905420219 1.000000000
|
|
98 0.1905421243 1.000000000
|
|
99 0.2019434821 1.000000000
|
|
100 0.2019435946 1.000000000
|
|
101 0.2047605018 1.000000000
|
|
102 0.2047605217 1.000000000
|
|
103 0.2189699392 1.000000000
|
|
104 0.2189700478 1.000000000
|
|
105 0.2219407344 1.000000000
|
|
106 0.2219408247 1.000000000
|
|
107 0.2255517698 1.000000000
|
|
108 0.2255517954 1.000000000
|
|
109 0.2274317072 1.000000000
|
|
110 0.2274317492 1.000000000
|
|
111 0.2470657360 1.000000000
|
|
112 0.2470657846 1.000000000
|
|
113 0.2687019348 1.000000000
|
|
114 0.2687021986 1.000000000
|
|
115 0.2970835923 0.9231025420
|
|
116 0.2970837440 0.9230917735
|
|
117 0.3105076322 0.1775594551E-04
|
|
118 0.3105076863 0.1775498612E-04
|
|
119 0.4206917455 0.000000000
|
|
120 0.4206922716 0.000000000
|
|
121 0.4370879397 0.000000000
|
|
122 0.4370880303 0.000000000
|
|
123 0.4700019278 0.000000000
|
|
124 0.4700023347 0.000000000
|
|
125 0.4771606708 0.000000000
|
|
126 0.4771609322 0.000000000
|
|
127 0.4807312251 0.000000000
|
|
128 0.4807313173 0.000000000
|
|
129 0.4826494086 0.000000000
|
|
130 0.4826496089 0.000000000
|
|
131 0.4892559641 0.000000000
|
|
132 0.4892561875 0.000000000
|
|
133 0.5056673173 0.000000000
|
|
134 0.5056676207 0.000000000
|
|
135 0.5305995105 0.000000000
|
|
136 0.5305997797 0.000000000
|
|
137 0.5366659285 0.000000000
|
|
138 0.5366663253 0.000000000
|
|
139 0.5442223129 0.000000000
|
|
140 0.5442225919 0.000000000
|
|
141 0.5498150241 0.000000000
|
|
142 0.5498154182 0.000000000
|
|
143 0.5562981999 0.000000000
|
|
144 0.5562985113 0.000000000
|
|
145 0.5908882612 0.000000000
|
|
146 0.5908885513 0.000000000
|
|
147 0.5933356012 0.000000000
|
|
148 0.5933357784 0.000000000
|
|
149 0.6042089442 0.000000000
|
|
150 0.6042095045 0.000000000
|
|
151 0.6304493990 0.000000000
|
|
152 0.6304495470 0.000000000
|
|
153 0.6739160766 0.000000000
|
|
154 0.6739162058 0.000000000
|
|
155 0.6805514581 0.000000000
|
|
156 0.6805520211 0.000000000
|
|
157 0.7084560108 0.000000000
|
|
158 0.7084561811 0.000000000
|
|
159 0.7125034838 0.000000000
|
|
160 0.7125035803 0.000000000
|
|
161 0.7213604895 0.000000000
|
|
162 0.7213606675 0.000000000
|
|
163 0.7304077050 0.000000000
|
|
164 0.7304080309 0.000000000
|
|
165 0.7521681419 0.000000000
|
|
166 0.7521681967 0.000000000
|
|
167 0.7611424572 0.000000000
|
|
168 0.7611425634 0.000000000
|
|
169 0.7881702443 0.000000000
|
|
170 0.7881703376 0.000000000
|
|
171 0.8137033659 0.000000000
|
|
172 0.8137034968 0.000000000
|
|
173 0.8311583693 0.000000000
|
|
174 0.8311584923 0.000000000
|
|
175 0.8387262564 0.000000000
|
|
176 0.8387265997 0.000000000
|
|
177 0.8588005242 0.000000000
|
|
178 0.8588007003 0.000000000
|
|
179 0.8640196801 0.000000000
|
|
180 0.8640200370 0.000000000
|
|
181 0.8979041920 0.000000000
|
|
182 0.8979044391 0.000000000
|
|
183 0.9216053014 0.000000000
|
|
184 0.9216054474 0.000000000
|
|
185 0.9233128004 0.000000000
|
|
186 0.9233130531 0.000000000
|
|
187 0.9364153287 0.000000000
|
|
188 0.9364156100 0.000000000
|
|
189 0.9415520948 0.000000000
|
|
190 0.9415523527 0.000000000
|
|
191 0.9641899157 0.000000000
|
|
192 0.9641905861 0.000000000
|
|
193 0.9789110706 0.000000000
|
|
194 0.9789111227 0.000000000
|
|
195 0.9881298037 0.000000000
|
|
196 0.9881299137 0.000000000
|
|
197 0.9919440505 0.000000000
|
|
198 0.9919442288 0.000000000
|
|
|
|
|
|
17 0.7500000000 0.2500000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353158 1.000000000
|
|
2 -2.763353156 1.000000000
|
|
3 -2.763350768 1.000000000
|
|
4 -2.763350763 1.000000000
|
|
5 -2.763347923 1.000000000
|
|
6 -2.763347922 1.000000000
|
|
7 -2.763331642 1.000000000
|
|
8 -2.763331639 1.000000000
|
|
9 -2.669477891 1.000000000
|
|
10 -2.669477889 1.000000000
|
|
11 -2.669477349 1.000000000
|
|
12 -2.669477341 1.000000000
|
|
13 -2.669475858 1.000000000
|
|
14 -2.669475855 1.000000000
|
|
15 -2.669465736 1.000000000
|
|
16 -2.669465728 1.000000000
|
|
17 -2.669437837 1.000000000
|
|
18 -2.669437835 1.000000000
|
|
19 -2.669435219 1.000000000
|
|
20 -2.669435217 1.000000000
|
|
21 -1.909412421 1.000000000
|
|
22 -1.909412411 1.000000000
|
|
23 -1.909409585 1.000000000
|
|
24 -1.909409568 1.000000000
|
|
25 -1.905817830 1.000000000
|
|
26 -1.905817820 1.000000000
|
|
27 -1.851239639 1.000000000
|
|
28 -1.851239575 1.000000000
|
|
29 -1.795951586 1.000000000
|
|
30 -1.795951558 1.000000000
|
|
31 -1.794095901 1.000000000
|
|
32 -1.794095884 1.000000000
|
|
33 -1.794094670 1.000000000
|
|
34 -1.794094659 1.000000000
|
|
35 -1.790799266 1.000000000
|
|
36 -1.790799242 1.000000000
|
|
37 -1.415310957 1.000000000
|
|
38 -1.415310843 1.000000000
|
|
39 -1.415246474 1.000000000
|
|
40 -1.415246330 1.000000000
|
|
41 -1.189026642 1.000000000
|
|
42 -1.189026639 1.000000000
|
|
43 -0.6664711064 1.000000000
|
|
44 -0.6664711058 1.000000000
|
|
45 -0.6628071290 1.000000000
|
|
46 -0.6628071281 1.000000000
|
|
47 -0.5087382262 1.000000000
|
|
48 -0.5087381595 1.000000000
|
|
49 -0.4653847904 1.000000000
|
|
50 -0.4653846361 1.000000000
|
|
51 -0.4648965670 1.000000000
|
|
52 -0.4648963759 1.000000000
|
|
53 -0.3684151204 1.000000000
|
|
54 -0.3684150627 1.000000000
|
|
55 -0.3450989850 1.000000000
|
|
56 -0.3450988563 1.000000000
|
|
57 -0.3343535886 1.000000000
|
|
58 -0.3343534988 1.000000000
|
|
59 -0.3283332413 1.000000000
|
|
60 -0.3283331867 1.000000000
|
|
61 -0.3143894677 1.000000000
|
|
62 -0.3143894408 1.000000000
|
|
63 -0.3074521723 1.000000000
|
|
64 -0.3074521500 1.000000000
|
|
65 -0.1738236792 1.000000000
|
|
66 -0.1738235695 1.000000000
|
|
67 -0.1643151416 1.000000000
|
|
68 -0.1643150238 1.000000000
|
|
69 -0.1107255391 1.000000000
|
|
70 -0.1107253799 1.000000000
|
|
71 -0.1068856216 1.000000000
|
|
72 -0.1068853898 1.000000000
|
|
73 -0.9448608485E-01 1.000000000
|
|
74 -0.9448592195E-01 1.000000000
|
|
75 -0.9391435655E-01 1.000000000
|
|
76 -0.9391411033E-01 1.000000000
|
|
77 0.5645667078E-01 1.000000000
|
|
78 0.5645716671E-01 1.000000000
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|
79 0.6189179729E-01 1.000000000
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|
80 0.6189196170E-01 1.000000000
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|
81 0.9248532694E-01 1.000000000
|
|
82 0.9248548955E-01 1.000000000
|
|
83 0.9690361658E-01 1.000000000
|
|
84 0.9690385551E-01 1.000000000
|
|
85 0.1084477821 1.000000000
|
|
86 0.1084479199 1.000000000
|
|
87 0.1096431155 1.000000000
|
|
88 0.1096431967 1.000000000
|
|
89 0.1413849941 1.000000000
|
|
90 0.1413852254 1.000000000
|
|
91 0.1655615379 1.000000000
|
|
92 0.1655615806 1.000000000
|
|
93 0.1742837702 1.000000000
|
|
94 0.1742838532 1.000000000
|
|
95 0.1983863628 1.000000000
|
|
96 0.1983863894 1.000000000
|
|
97 0.1995971731 1.000000000
|
|
98 0.1995972002 1.000000000
|
|
99 0.1998198562 1.000000000
|
|
100 0.1998199127 1.000000000
|
|
101 0.2025259478 1.000000000
|
|
102 0.2025259908 1.000000000
|
|
103 0.2245614803 1.000000000
|
|
104 0.2245615571 1.000000000
|
|
105 0.2281007708 1.000000000
|
|
106 0.2281008305 1.000000000
|
|
107 0.2331244056 1.000000000
|
|
108 0.2331244328 1.000000000
|
|
109 0.2331897241 1.000000000
|
|
110 0.2331897463 1.000000000
|
|
111 0.2493686029 1.000000000
|
|
112 0.2493686433 1.000000000
|
|
113 0.2662986484 1.000000000
|
|
114 0.2662989357 1.000000000
|
|
115 0.2934180519 0.9978727760
|
|
116 0.2934182093 0.9978724420
|
|
117 0.3058174129 0.1929519289E-02
|
|
118 0.3058174577 0.1929432940E-02
|
|
119 0.4145426720 0.000000000
|
|
120 0.4145432128 0.000000000
|
|
121 0.4370894093 0.000000000
|
|
122 0.4370895062 0.000000000
|
|
123 0.4564703905 0.000000000
|
|
124 0.4564708959 0.000000000
|
|
125 0.4590945454 0.000000000
|
|
126 0.4590947623 0.000000000
|
|
127 0.4760919601 0.000000000
|
|
128 0.4760921967 0.000000000
|
|
129 0.4772935135 0.000000000
|
|
130 0.4772936188 0.000000000
|
|
131 0.4855919681 0.000000000
|
|
132 0.4855921436 0.000000000
|
|
133 0.4918779063 0.000000000
|
|
134 0.4918781946 0.000000000
|
|
135 0.5150089164 0.000000000
|
|
136 0.5150089641 0.000000000
|
|
137 0.5269011155 0.000000000
|
|
138 0.5269013072 0.000000000
|
|
139 0.5271123617 0.000000000
|
|
140 0.5271124501 0.000000000
|
|
141 0.5518411929 0.000000000
|
|
142 0.5518414997 0.000000000
|
|
143 0.5634143208 0.000000000
|
|
144 0.5634144665 0.000000000
|
|
145 0.5937754634 0.000000000
|
|
146 0.5937755000 0.000000000
|
|
147 0.5956991077 0.000000000
|
|
148 0.5956991530 0.000000000
|
|
149 0.6090546770 0.000000000
|
|
150 0.6090554478 0.000000000
|
|
151 0.6416191454 0.000000000
|
|
152 0.6416193409 0.000000000
|
|
153 0.6735264095 0.000000000
|
|
154 0.6735264341 0.000000000
|
|
155 0.6869560732 0.000000000
|
|
156 0.6869566651 0.000000000
|
|
157 0.7046808112 0.000000000
|
|
158 0.7046809463 0.000000000
|
|
159 0.7069401342 0.000000000
|
|
160 0.7069402043 0.000000000
|
|
161 0.7133787953 0.000000000
|
|
162 0.7133789696 0.000000000
|
|
163 0.7332882399 0.000000000
|
|
164 0.7332884396 0.000000000
|
|
165 0.7839109710 0.000000000
|
|
166 0.7839111204 0.000000000
|
|
167 0.7885253152 0.000000000
|
|
168 0.7885254490 0.000000000
|
|
169 0.8083874795 0.000000000
|
|
170 0.8083875196 0.000000000
|
|
171 0.8232612888 0.000000000
|
|
172 0.8232613593 0.000000000
|
|
173 0.8346006518 0.000000000
|
|
174 0.8346007008 0.000000000
|
|
175 0.8375501994 0.000000000
|
|
176 0.8375502767 0.000000000
|
|
177 0.8548936491 0.000000000
|
|
178 0.8548937852 0.000000000
|
|
179 0.8704432567 0.000000000
|
|
180 0.8704435084 0.000000000
|
|
181 0.8810684064 0.000000000
|
|
182 0.8810685113 0.000000000
|
|
183 0.9052654509 0.000000000
|
|
184 0.9052657254 0.000000000
|
|
185 0.9249227990 0.000000000
|
|
186 0.9249230427 0.000000000
|
|
187 0.9264713940 0.000000000
|
|
188 0.9264717397 0.000000000
|
|
189 0.9277030040 0.000000000
|
|
190 0.9277032422 0.000000000
|
|
191 0.9627859416 0.000000000
|
|
192 0.9627860924 0.000000000
|
|
193 0.9700472892 0.000000000
|
|
194 0.9700474670 0.000000000
|
|
195 0.9798497812 0.000000000
|
|
196 0.9798501764 0.000000000
|
|
197 1.018470470 0.000000000
|
|
198 1.018470704 0.000000000
|
|
|
|
|
|
18 0.3750000000 0.3750000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763351624 1.000000000
|
|
2 -2.763351622 1.000000000
|
|
3 -2.763351260 1.000000000
|
|
4 -2.763351258 1.000000000
|
|
5 -2.763347560 1.000000000
|
|
6 -2.763347558 1.000000000
|
|
7 -2.763339861 1.000000000
|
|
8 -2.763339860 1.000000000
|
|
9 -2.669478796 1.000000000
|
|
10 -2.669478788 1.000000000
|
|
11 -2.669477440 1.000000000
|
|
12 -2.669477431 1.000000000
|
|
13 -2.669475588 1.000000000
|
|
14 -2.669475584 1.000000000
|
|
15 -2.669470730 1.000000000
|
|
16 -2.669470728 1.000000000
|
|
17 -2.669436393 1.000000000
|
|
18 -2.669436389 1.000000000
|
|
19 -2.669435302 1.000000000
|
|
20 -2.669435299 1.000000000
|
|
21 -1.909407116 1.000000000
|
|
22 -1.909407099 1.000000000
|
|
23 -1.909405590 1.000000000
|
|
24 -1.909405578 1.000000000
|
|
25 -1.905811095 1.000000000
|
|
26 -1.905811084 1.000000000
|
|
27 -1.850646974 1.000000000
|
|
28 -1.850646909 1.000000000
|
|
29 -1.795946757 1.000000000
|
|
30 -1.795946729 1.000000000
|
|
31 -1.794092085 1.000000000
|
|
32 -1.794092069 1.000000000
|
|
33 -1.794086612 1.000000000
|
|
34 -1.794086600 1.000000000
|
|
35 -1.790792505 1.000000000
|
|
36 -1.790792481 1.000000000
|
|
37 -1.415201441 1.000000000
|
|
38 -1.415201289 1.000000000
|
|
39 -1.415005601 1.000000000
|
|
40 -1.415005429 1.000000000
|
|
41 -1.189024130 1.000000000
|
|
42 -1.189024128 1.000000000
|
|
43 -0.6649241254 1.000000000
|
|
44 -0.6649241246 1.000000000
|
|
45 -0.6641097973 1.000000000
|
|
46 -0.6641097966 1.000000000
|
|
47 -0.5086728367 1.000000000
|
|
48 -0.5086727515 1.000000000
|
|
49 -0.4658764280 1.000000000
|
|
50 -0.4658763120 1.000000000
|
|
51 -0.4648808187 1.000000000
|
|
52 -0.4648806425 1.000000000
|
|
53 -0.3680124892 1.000000000
|
|
54 -0.3680124214 1.000000000
|
|
55 -0.3500087261 1.000000000
|
|
56 -0.3500086356 1.000000000
|
|
57 -0.3404846997 1.000000000
|
|
58 -0.3404845854 1.000000000
|
|
59 -0.3217912159 1.000000000
|
|
60 -0.3217911662 1.000000000
|
|
61 -0.3149191883 1.000000000
|
|
62 -0.3149191528 1.000000000
|
|
63 -0.3094958516 1.000000000
|
|
64 -0.3094958304 1.000000000
|
|
65 -0.1647320796 1.000000000
|
|
66 -0.1647319683 1.000000000
|
|
67 -0.1639692964 1.000000000
|
|
68 -0.1639691950 1.000000000
|
|
69 -0.9899713564E-01 1.000000000
|
|
70 -0.9899694685E-01 1.000000000
|
|
71 -0.9610081566E-01 1.000000000
|
|
72 -0.9610062243E-01 1.000000000
|
|
73 -0.9251202097E-01 1.000000000
|
|
74 -0.9251190880E-01 1.000000000
|
|
75 -0.9167499890E-01 1.000000000
|
|
76 -0.9167482426E-01 1.000000000
|
|
77 0.5686643021E-01 1.000000000
|
|
78 0.5686671530E-01 1.000000000
|
|
79 0.6594049618E-01 1.000000000
|
|
80 0.6594090839E-01 1.000000000
|
|
81 0.8201063379E-01 1.000000000
|
|
82 0.8201078328E-01 1.000000000
|
|
83 0.8683171200E-01 1.000000000
|
|
84 0.8683197186E-01 1.000000000
|
|
85 0.9713837321E-01 1.000000000
|
|
86 0.9713851990E-01 1.000000000
|
|
87 0.1062949876 1.000000000
|
|
88 0.1062950943 1.000000000
|
|
89 0.1481606708 1.000000000
|
|
90 0.1481607800 1.000000000
|
|
91 0.1582643628 1.000000000
|
|
92 0.1582644814 1.000000000
|
|
93 0.1635687160 1.000000000
|
|
94 0.1635687358 1.000000000
|
|
95 0.1834055901 1.000000000
|
|
96 0.1834056270 1.000000000
|
|
97 0.1952797356 1.000000000
|
|
98 0.1952798119 1.000000000
|
|
99 0.2021272951 1.000000000
|
|
100 0.2021274344 1.000000000
|
|
101 0.2090936990 1.000000000
|
|
102 0.2090937359 1.000000000
|
|
103 0.2104688762 1.000000000
|
|
104 0.2104689405 1.000000000
|
|
105 0.2132514758 1.000000000
|
|
106 0.2132515093 1.000000000
|
|
107 0.2167850956 1.000000000
|
|
108 0.2167851189 1.000000000
|
|
109 0.2178018094 1.000000000
|
|
110 0.2178018419 1.000000000
|
|
111 0.2430210489 1.000000000
|
|
112 0.2430210974 1.000000000
|
|
113 0.2760788693 0.9999999999
|
|
114 0.2760791186 0.9999999999
|
|
115 0.2979157318 0.8393133698
|
|
116 0.2979158617 0.8392958521
|
|
117 0.3134482555 0.9381119308E-06
|
|
118 0.3134483001 0.9380701198E-06
|
|
119 0.4225785341 0.000000000
|
|
120 0.4225786406 0.000000000
|
|
121 0.4348489712 0.000000000
|
|
122 0.4348494146 0.000000000
|
|
123 0.4880021019 0.000000000
|
|
124 0.4880024066 0.000000000
|
|
125 0.4905198159 0.000000000
|
|
126 0.4905200726 0.000000000
|
|
127 0.4924850184 0.000000000
|
|
128 0.4924851336 0.000000000
|
|
129 0.5002836055 0.000000000
|
|
130 0.5002840130 0.000000000
|
|
131 0.5127726137 0.000000000
|
|
132 0.5127728924 0.000000000
|
|
133 0.5141307746 0.000000000
|
|
134 0.5141309646 0.000000000
|
|
135 0.5272821769 0.000000000
|
|
136 0.5272823706 0.000000000
|
|
137 0.5528260147 0.000000000
|
|
138 0.5528263487 0.000000000
|
|
139 0.5551644033 0.000000000
|
|
140 0.5551646008 0.000000000
|
|
141 0.5567657969 0.000000000
|
|
142 0.5567659625 0.000000000
|
|
143 0.5634385710 0.000000000
|
|
144 0.5634390985 0.000000000
|
|
145 0.5798452903 0.000000000
|
|
146 0.5798454565 0.000000000
|
|
147 0.5965787833 0.000000000
|
|
148 0.5965788675 0.000000000
|
|
149 0.6075847698 0.000000000
|
|
150 0.6075849304 0.000000000
|
|
151 0.6302178475 0.000000000
|
|
152 0.6302178910 0.000000000
|
|
153 0.6655846505 0.000000000
|
|
154 0.6655851479 0.000000000
|
|
155 0.6661962592 0.000000000
|
|
156 0.6661963582 0.000000000
|
|
157 0.6731559428 0.000000000
|
|
158 0.6731561156 0.000000000
|
|
159 0.7078301649 0.000000000
|
|
160 0.7078304331 0.000000000
|
|
161 0.7203540666 0.000000000
|
|
162 0.7203541515 0.000000000
|
|
163 0.7341503605 0.000000000
|
|
164 0.7341504502 0.000000000
|
|
165 0.7457124298 0.000000000
|
|
166 0.7457125724 0.000000000
|
|
167 0.7500046693 0.000000000
|
|
168 0.7500048272 0.000000000
|
|
169 0.7683734826 0.000000000
|
|
170 0.7683735285 0.000000000
|
|
171 0.8049460775 0.000000000
|
|
172 0.8049462655 0.000000000
|
|
173 0.8322474092 0.000000000
|
|
174 0.8322474764 0.000000000
|
|
175 0.8411022817 0.000000000
|
|
176 0.8411023542 0.000000000
|
|
177 0.8473432200 0.000000000
|
|
178 0.8473435193 0.000000000
|
|
179 0.8574192564 0.000000000
|
|
180 0.8574193394 0.000000000
|
|
181 0.8998235555 0.000000000
|
|
182 0.8998237136 0.000000000
|
|
183 0.9048277870 0.000000000
|
|
184 0.9048279542 0.000000000
|
|
185 0.9174109735 0.000000000
|
|
186 0.9174112346 0.000000000
|
|
187 0.9319192015 0.000000000
|
|
188 0.9319194430 0.000000000
|
|
189 0.9474836296 0.000000000
|
|
190 0.9474840074 0.000000000
|
|
191 0.9514579139 0.000000000
|
|
192 0.9514581465 0.000000000
|
|
193 0.9597351773 0.000000000
|
|
194 0.9597352530 0.000000000
|
|
195 0.9776682419 0.000000000
|
|
196 0.9776687881 0.000000000
|
|
197 1.014218782 0.000000000
|
|
198 1.014219345 0.000000000
|
|
|
|
|
|
19 0.5000000000 0.3750000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763351311 1.000000000
|
|
2 -2.763351310 1.000000000
|
|
3 -2.763349299 1.000000000
|
|
4 -2.763349297 1.000000000
|
|
5 -2.763340328 1.000000000
|
|
6 -2.763340327 1.000000000
|
|
7 -2.763334119 1.000000000
|
|
8 -2.763334115 1.000000000
|
|
9 -2.669477278 1.000000000
|
|
10 -2.669477270 1.000000000
|
|
11 -2.669475903 1.000000000
|
|
12 -2.669475901 1.000000000
|
|
13 -2.669470848 1.000000000
|
|
14 -2.669470845 1.000000000
|
|
15 -2.669467431 1.000000000
|
|
16 -2.669467423 1.000000000
|
|
17 -2.669436606 1.000000000
|
|
18 -2.669436603 1.000000000
|
|
19 -2.669435626 1.000000000
|
|
20 -2.669435623 1.000000000
|
|
21 -1.909404427 1.000000000
|
|
22 -1.909404416 1.000000000
|
|
23 -1.909402093 1.000000000
|
|
24 -1.909402078 1.000000000
|
|
25 -1.905806300 1.000000000
|
|
26 -1.905806290 1.000000000
|
|
27 -1.851013922 1.000000000
|
|
28 -1.851013858 1.000000000
|
|
29 -1.795946192 1.000000000
|
|
30 -1.795946163 1.000000000
|
|
31 -1.794089667 1.000000000
|
|
32 -1.794089651 1.000000000
|
|
33 -1.794078357 1.000000000
|
|
34 -1.794078347 1.000000000
|
|
35 -1.790788092 1.000000000
|
|
36 -1.790788068 1.000000000
|
|
37 -1.415253351 1.000000000
|
|
38 -1.415253300 1.000000000
|
|
39 -1.415151481 1.000000000
|
|
40 -1.415151323 1.000000000
|
|
41 -1.189024329 1.000000000
|
|
42 -1.189024326 1.000000000
|
|
43 -0.6654076937 1.000000000
|
|
44 -0.6654076929 1.000000000
|
|
45 -0.6636258696 1.000000000
|
|
46 -0.6636258688 1.000000000
|
|
47 -0.5085875773 1.000000000
|
|
48 -0.5085874939 1.000000000
|
|
49 -0.4654307591 1.000000000
|
|
50 -0.4654306627 1.000000000
|
|
51 -0.4647879723 1.000000000
|
|
52 -0.4647877976 1.000000000
|
|
53 -0.3721375215 1.000000000
|
|
54 -0.3721374538 1.000000000
|
|
55 -0.3489887533 1.000000000
|
|
56 -0.3489886548 1.000000000
|
|
57 -0.3435489093 1.000000000
|
|
58 -0.3435487830 1.000000000
|
|
59 -0.3181145096 1.000000000
|
|
60 -0.3181144767 1.000000000
|
|
61 -0.3108236360 1.000000000
|
|
62 -0.3108236264 1.000000000
|
|
63 -0.3102284446 1.000000000
|
|
64 -0.3102284299 1.000000000
|
|
65 -0.1657524643 1.000000000
|
|
66 -0.1657523540 1.000000000
|
|
67 -0.1631591138 1.000000000
|
|
68 -0.1631590041 1.000000000
|
|
69 -0.1012388723 1.000000000
|
|
70 -0.1012386725 1.000000000
|
|
71 -0.9385313811E-01 1.000000000
|
|
72 -0.9385291976E-01 1.000000000
|
|
73 -0.9270906177E-01 1.000000000
|
|
74 -0.9270889688E-01 1.000000000
|
|
75 -0.9207288655E-01 1.000000000
|
|
76 -0.9207275621E-01 1.000000000
|
|
77 0.5739674096E-01 1.000000000
|
|
78 0.5739697453E-01 1.000000000
|
|
79 0.5878726798E-01 1.000000000
|
|
80 0.5878772884E-01 1.000000000
|
|
81 0.7578293749E-01 1.000000000
|
|
82 0.7578313501E-01 1.000000000
|
|
83 0.8194761891E-01 1.000000000
|
|
84 0.8194785109E-01 1.000000000
|
|
85 0.9974963621E-01 1.000000000
|
|
86 0.9974983073E-01 1.000000000
|
|
87 0.1070591760 1.000000000
|
|
88 0.1070592581 1.000000000
|
|
89 0.1545550449 1.000000000
|
|
90 0.1545551264 1.000000000
|
|
91 0.1641159472 1.000000000
|
|
92 0.1641160120 1.000000000
|
|
93 0.1685467627 1.000000000
|
|
94 0.1685468013 1.000000000
|
|
95 0.1856022592 1.000000000
|
|
96 0.1856022795 1.000000000
|
|
97 0.1960307732 1.000000000
|
|
98 0.1960309232 1.000000000
|
|
99 0.2028985910 1.000000000
|
|
100 0.2028986476 1.000000000
|
|
101 0.2049563773 1.000000000
|
|
102 0.2049564583 1.000000000
|
|
103 0.2110389305 1.000000000
|
|
104 0.2110390433 1.000000000
|
|
105 0.2134574622 1.000000000
|
|
106 0.2134574947 1.000000000
|
|
107 0.2202112162 1.000000000
|
|
108 0.2202112519 1.000000000
|
|
109 0.2225758291 1.000000000
|
|
110 0.2225758983 1.000000000
|
|
111 0.2469512337 1.000000000
|
|
112 0.2469512820 1.000000000
|
|
113 0.2651725174 1.000000000
|
|
114 0.2651727954 1.000000000
|
|
115 0.3012182749 0.1611880187
|
|
116 0.3012184174 0.1611687547
|
|
117 0.3158421938 0.8562110469E-07
|
|
118 0.3158422308 0.8561793565E-07
|
|
119 0.4211285237 0.000000000
|
|
120 0.4211290511 0.000000000
|
|
121 0.4221202858 0.000000000
|
|
122 0.4221203865 0.000000000
|
|
123 0.4876877122 0.000000000
|
|
124 0.4876880749 0.000000000
|
|
125 0.4924782166 0.000000000
|
|
126 0.4924784395 0.000000000
|
|
127 0.4940290027 0.000000000
|
|
128 0.4940292790 0.000000000
|
|
129 0.4981343649 0.000000000
|
|
130 0.4981346909 0.000000000
|
|
131 0.5009281899 0.000000000
|
|
132 0.5009282924 0.000000000
|
|
133 0.5141953267 0.000000000
|
|
134 0.5141956893 0.000000000
|
|
135 0.5252546083 0.000000000
|
|
136 0.5252549273 0.000000000
|
|
137 0.5377402544 0.000000000
|
|
138 0.5377406119 0.000000000
|
|
139 0.5583186264 0.000000000
|
|
140 0.5583186833 0.000000000
|
|
141 0.5649823822 0.000000000
|
|
142 0.5649826795 0.000000000
|
|
143 0.5790004430 0.000000000
|
|
144 0.5790006685 0.000000000
|
|
145 0.5950129761 0.000000000
|
|
146 0.5950135115 0.000000000
|
|
147 0.5976210124 0.000000000
|
|
148 0.5976212109 0.000000000
|
|
149 0.6091143616 0.000000000
|
|
150 0.6091147802 0.000000000
|
|
151 0.6384181733 0.000000000
|
|
152 0.6384182656 0.000000000
|
|
153 0.6609330675 0.000000000
|
|
154 0.6609331938 0.000000000
|
|
155 0.6774268407 0.000000000
|
|
156 0.6774273223 0.000000000
|
|
157 0.7014042762 0.000000000
|
|
158 0.7014043950 0.000000000
|
|
159 0.7026053419 0.000000000
|
|
160 0.7026054717 0.000000000
|
|
161 0.7035798364 0.000000000
|
|
162 0.7035801025 0.000000000
|
|
163 0.7171724659 0.000000000
|
|
164 0.7171726728 0.000000000
|
|
165 0.7229577119 0.000000000
|
|
166 0.7229578636 0.000000000
|
|
167 0.7314995650 0.000000000
|
|
168 0.7314997227 0.000000000
|
|
169 0.7352702419 0.000000000
|
|
170 0.7352703356 0.000000000
|
|
171 0.8134547468 0.000000000
|
|
172 0.8134548046 0.000000000
|
|
173 0.8359221476 0.000000000
|
|
174 0.8359222615 0.000000000
|
|
175 0.8374863718 0.000000000
|
|
176 0.8374867169 0.000000000
|
|
177 0.8510188972 0.000000000
|
|
178 0.8510190760 0.000000000
|
|
179 0.8796172131 0.000000000
|
|
180 0.8796173188 0.000000000
|
|
181 0.8931261371 0.000000000
|
|
182 0.8931262870 0.000000000
|
|
183 0.9258396614 0.000000000
|
|
184 0.9258397933 0.000000000
|
|
185 0.9403341940 0.000000000
|
|
186 0.9403346157 0.000000000
|
|
187 0.9467549246 0.000000000
|
|
188 0.9467554527 0.000000000
|
|
189 0.9527223922 0.000000000
|
|
190 0.9527225453 0.000000000
|
|
191 0.9540854658 0.000000000
|
|
192 0.9540855902 0.000000000
|
|
193 0.9732675179 0.000000000
|
|
194 0.9732676613 0.000000000
|
|
195 0.9903096169 0.000000000
|
|
196 0.9903097309 0.000000000
|
|
197 0.9941824013 0.000000000
|
|
198 0.9941830513 0.000000000
|
|
|
|
|
|
20 0.6250000000 0.3750000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763351277 1.000000000
|
|
2 -2.763351276 1.000000000
|
|
3 -2.763349060 1.000000000
|
|
4 -2.763349057 1.000000000
|
|
5 -2.763341707 1.000000000
|
|
6 -2.763341706 1.000000000
|
|
7 -2.763332066 1.000000000
|
|
8 -2.763332063 1.000000000
|
|
9 -2.669477074 1.000000000
|
|
10 -2.669477066 1.000000000
|
|
11 -2.669476046 1.000000000
|
|
12 -2.669476043 1.000000000
|
|
13 -2.669471501 1.000000000
|
|
14 -2.669471499 1.000000000
|
|
15 -2.669466031 1.000000000
|
|
16 -2.669466023 1.000000000
|
|
17 -2.669436677 1.000000000
|
|
18 -2.669436674 1.000000000
|
|
19 -2.669435803 1.000000000
|
|
20 -2.669435800 1.000000000
|
|
21 -1.909405057 1.000000000
|
|
22 -1.909405047 1.000000000
|
|
23 -1.909403164 1.000000000
|
|
24 -1.909403146 1.000000000
|
|
25 -1.905808188 1.000000000
|
|
26 -1.905808178 1.000000000
|
|
27 -1.851228819 1.000000000
|
|
28 -1.851228756 1.000000000
|
|
29 -1.795946336 1.000000000
|
|
30 -1.795946308 1.000000000
|
|
31 -1.794090657 1.000000000
|
|
32 -1.794090640 1.000000000
|
|
33 -1.794080666 1.000000000
|
|
34 -1.794080655 1.000000000
|
|
35 -1.790789793 1.000000000
|
|
36 -1.790789769 1.000000000
|
|
37 -1.415330052 1.000000000
|
|
38 -1.415329952 1.000000000
|
|
39 -1.415199276 1.000000000
|
|
40 -1.415199107 1.000000000
|
|
41 -1.189024846 1.000000000
|
|
42 -1.189024844 1.000000000
|
|
43 -0.6657701065 1.000000000
|
|
44 -0.6657701058 1.000000000
|
|
45 -0.6633203639 1.000000000
|
|
46 -0.6633203630 1.000000000
|
|
47 -0.5086137654 1.000000000
|
|
48 -0.5086136788 1.000000000
|
|
49 -0.4651558212 1.000000000
|
|
50 -0.4651556298 1.000000000
|
|
51 -0.4649936056 1.000000000
|
|
52 -0.4649934348 1.000000000
|
|
53 -0.3723754200 1.000000000
|
|
54 -0.3723753561 1.000000000
|
|
55 -0.3452609946 1.000000000
|
|
56 -0.3452608992 1.000000000
|
|
57 -0.3447509845 1.000000000
|
|
58 -0.3447508555 1.000000000
|
|
59 -0.3168254437 1.000000000
|
|
60 -0.3168254213 1.000000000
|
|
61 -0.3145789347 1.000000000
|
|
62 -0.3145789052 1.000000000
|
|
63 -0.3086572358 1.000000000
|
|
64 -0.3086572139 1.000000000
|
|
65 -0.1678261188 1.000000000
|
|
66 -0.1678260049 1.000000000
|
|
67 -0.1632648208 1.000000000
|
|
68 -0.1632647045 1.000000000
|
|
69 -0.1039538688 1.000000000
|
|
70 -0.1039537078 1.000000000
|
|
71 -0.9629753635E-01 1.000000000
|
|
72 -0.9629729864E-01 1.000000000
|
|
73 -0.9353842004E-01 1.000000000
|
|
74 -0.9353826062E-01 1.000000000
|
|
75 -0.9247053015E-01 1.000000000
|
|
76 -0.9247029785E-01 1.000000000
|
|
77 0.5611835324E-01 1.000000000
|
|
78 0.5611883618E-01 1.000000000
|
|
79 0.5923407717E-01 1.000000000
|
|
80 0.5923424866E-01 1.000000000
|
|
81 0.7909952342E-01 1.000000000
|
|
82 0.7909975398E-01 1.000000000
|
|
83 0.8432043954E-01 1.000000000
|
|
84 0.8432067913E-01 1.000000000
|
|
85 0.1020832711 1.000000000
|
|
86 0.1020834439 1.000000000
|
|
87 0.1079929398 1.000000000
|
|
88 0.1079930167 1.000000000
|
|
89 0.1564901970 1.000000000
|
|
90 0.1564902769 1.000000000
|
|
91 0.1670367647 1.000000000
|
|
92 0.1670368701 1.000000000
|
|
93 0.1685212501 1.000000000
|
|
94 0.1685213221 1.000000000
|
|
95 0.1907053767 1.000000000
|
|
96 0.1907054210 1.000000000
|
|
97 0.1957969243 1.000000000
|
|
98 0.1957969894 1.000000000
|
|
99 0.1967216991 1.000000000
|
|
100 0.1967217677 1.000000000
|
|
101 0.1973425034 1.000000000
|
|
102 0.1973425231 1.000000000
|
|
103 0.2174963876 1.000000000
|
|
104 0.2174964352 1.000000000
|
|
105 0.2190272747 1.000000000
|
|
106 0.2190272860 1.000000000
|
|
107 0.2257812924 1.000000000
|
|
108 0.2257813261 1.000000000
|
|
109 0.2265399257 1.000000000
|
|
110 0.2265400014 1.000000000
|
|
111 0.2486894119 1.000000000
|
|
112 0.2486894531 1.000000000
|
|
113 0.2606647295 1.000000000
|
|
114 0.2606650379 1.000000000
|
|
115 0.3010658899 0.1828689024
|
|
116 0.3010660331 0.1828475020
|
|
117 0.3149755704 0.2036810088E-06
|
|
118 0.3149755996 0.2036750678E-06
|
|
119 0.4152139459 0.000000000
|
|
120 0.4152145052 0.000000000
|
|
121 0.4276578160 0.000000000
|
|
122 0.4276579073 0.000000000
|
|
123 0.4786475457 0.000000000
|
|
124 0.4786480509 0.000000000
|
|
125 0.4864775244 0.000000000
|
|
126 0.4864776948 0.000000000
|
|
127 0.4887204173 0.000000000
|
|
128 0.4887207012 0.000000000
|
|
129 0.4895551419 0.000000000
|
|
130 0.4895553090 0.000000000
|
|
131 0.4953516856 0.000000000
|
|
132 0.4953519470 0.000000000
|
|
133 0.5066269689 0.000000000
|
|
134 0.5066272954 0.000000000
|
|
135 0.5328389835 0.000000000
|
|
136 0.5328393282 0.000000000
|
|
137 0.5416406449 0.000000000
|
|
138 0.5416409179 0.000000000
|
|
139 0.5542498217 0.000000000
|
|
140 0.5542498811 0.000000000
|
|
141 0.5590996057 0.000000000
|
|
142 0.5590997871 0.000000000
|
|
143 0.5599484996 0.000000000
|
|
144 0.5599486565 0.000000000
|
|
145 0.5990245102 0.000000000
|
|
146 0.5990245837 0.000000000
|
|
147 0.5991973947 0.000000000
|
|
148 0.5991975452 0.000000000
|
|
149 0.6160499206 0.000000000
|
|
150 0.6160506512 0.000000000
|
|
151 0.6249375333 0.000000000
|
|
152 0.6249376257 0.000000000
|
|
153 0.6843740943 0.000000000
|
|
154 0.6843742197 0.000000000
|
|
155 0.6855204254 0.000000000
|
|
156 0.6855209128 0.000000000
|
|
157 0.6950553094 0.000000000
|
|
158 0.6950554813 0.000000000
|
|
159 0.7010878354 0.000000000
|
|
160 0.7010878628 0.000000000
|
|
161 0.7030910658 0.000000000
|
|
162 0.7030912520 0.000000000
|
|
163 0.7185352278 0.000000000
|
|
164 0.7185354693 0.000000000
|
|
165 0.7315570295 0.000000000
|
|
166 0.7315571794 0.000000000
|
|
167 0.7347409301 0.000000000
|
|
168 0.7347410714 0.000000000
|
|
169 0.7480208858 0.000000000
|
|
170 0.7480210147 0.000000000
|
|
171 0.8160977006 0.000000000
|
|
172 0.8160977475 0.000000000
|
|
173 0.8397316678 0.000000000
|
|
174 0.8397318426 0.000000000
|
|
175 0.8428461457 0.000000000
|
|
176 0.8428464786 0.000000000
|
|
177 0.8503112118 0.000000000
|
|
178 0.8503112712 0.000000000
|
|
179 0.8643597531 0.000000000
|
|
180 0.8643597679 0.000000000
|
|
181 0.9212584311 0.000000000
|
|
182 0.9212585263 0.000000000
|
|
183 0.9296984573 0.000000000
|
|
184 0.9296987954 0.000000000
|
|
185 0.9419933232 0.000000000
|
|
186 0.9419937483 0.000000000
|
|
187 0.9433160264 0.000000000
|
|
188 0.9433164650 0.000000000
|
|
189 0.9480374827 0.000000000
|
|
190 0.9480375446 0.000000000
|
|
191 0.9593336673 0.000000000
|
|
192 0.9593339056 0.000000000
|
|
193 0.9610635287 0.000000000
|
|
194 0.9610635643 0.000000000
|
|
195 0.9858936701 0.000000000
|
|
196 0.9858938832 0.000000000
|
|
197 0.9923082940 0.000000000
|
|
198 0.9923086044 0.000000000
|
|
|
|
|
|
21 0.5000000000 0.5000000000 0.000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763350766 1.000000000
|
|
2 -2.763350765 1.000000000
|
|
3 -2.763350515 1.000000000
|
|
4 -2.763350512 1.000000000
|
|
5 -2.763340056 1.000000000
|
|
6 -2.763340055 1.000000000
|
|
7 -2.763331598 1.000000000
|
|
8 -2.763331594 1.000000000
|
|
9 -2.669477204 1.000000000
|
|
10 -2.669477195 1.000000000
|
|
11 -2.669475917 1.000000000
|
|
12 -2.669475915 1.000000000
|
|
13 -2.669470607 1.000000000
|
|
14 -2.669470604 1.000000000
|
|
15 -2.669465897 1.000000000
|
|
16 -2.669465889 1.000000000
|
|
17 -2.669436758 1.000000000
|
|
18 -2.669436755 1.000000000
|
|
19 -2.669435818 1.000000000
|
|
20 -2.669435815 1.000000000
|
|
21 -1.909406338 1.000000000
|
|
22 -1.909406328 1.000000000
|
|
23 -1.909399347 1.000000000
|
|
24 -1.909399329 1.000000000
|
|
25 -1.905805573 1.000000000
|
|
26 -1.905805563 1.000000000
|
|
27 -1.850794877 1.000000000
|
|
28 -1.850794815 1.000000000
|
|
29 -1.795945288 1.000000000
|
|
30 -1.795945260 1.000000000
|
|
31 -1.794089949 1.000000000
|
|
32 -1.794089931 1.000000000
|
|
33 -1.794077478 1.000000000
|
|
34 -1.794077468 1.000000000
|
|
35 -1.790787161 1.000000000
|
|
36 -1.790787137 1.000000000
|
|
37 -1.415308041 1.000000000
|
|
38 -1.415307941 1.000000000
|
|
39 -1.414972719 1.000000000
|
|
40 -1.414972552 1.000000000
|
|
41 -1.189024202 1.000000000
|
|
42 -1.189024200 1.000000000
|
|
43 -0.6654766413 1.000000000
|
|
44 -0.6654766404 1.000000000
|
|
45 -0.6635319804 1.000000000
|
|
46 -0.6635319796 1.000000000
|
|
47 -0.5084977186 1.000000000
|
|
48 -0.5084976317 1.000000000
|
|
49 -0.4652586471 1.000000000
|
|
50 -0.4652584558 1.000000000
|
|
51 -0.4645702630 1.000000000
|
|
52 -0.4645700906 1.000000000
|
|
53 -0.3747098337 1.000000000
|
|
54 -0.3747097690 1.000000000
|
|
55 -0.3499051644 1.000000000
|
|
56 -0.3499050620 1.000000000
|
|
57 -0.3446402484 1.000000000
|
|
58 -0.3446401185 1.000000000
|
|
59 -0.3169187528 1.000000000
|
|
60 -0.3169187262 1.000000000
|
|
61 -0.3091302305 1.000000000
|
|
62 -0.3091302078 1.000000000
|
|
63 -0.3084768813 1.000000000
|
|
64 -0.3084768593 1.000000000
|
|
65 -0.1652835270 1.000000000
|
|
66 -0.1652834123 1.000000000
|
|
67 -0.1628690055 1.000000000
|
|
68 -0.1628688904 1.000000000
|
|
69 -0.1010192766 1.000000000
|
|
70 -0.1010191117 1.000000000
|
|
71 -0.9322969054E-01 1.000000000
|
|
72 -0.9322953025E-01 1.000000000
|
|
73 -0.9188040509E-01 1.000000000
|
|
74 -0.9188017898E-01 1.000000000
|
|
75 -0.9131148599E-01 1.000000000
|
|
76 -0.9131123988E-01 1.000000000
|
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77 0.5447480604E-01 1.000000000
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78 0.5447503542E-01 1.000000000
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79 0.5594324938E-01 1.000000000
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81 0.7254454081E-01 1.000000000
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82 0.7254475240E-01 1.000000000
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83 0.7881765280E-01 1.000000000
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84 0.7881789572E-01 1.000000000
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85 0.9971758661E-01 1.000000000
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86 0.9971776515E-01 1.000000000
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|
87 0.1073907712 1.000000000
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|
88 0.1073908463 1.000000000
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89 0.1569134288 1.000000000
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|
90 0.1569134817 1.000000000
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|
91 0.1658463871 1.000000000
|
|
92 0.1658464511 1.000000000
|
|
93 0.1723276843 1.000000000
|
|
94 0.1723277425 1.000000000
|
|
95 0.1869765373 1.000000000
|
|
96 0.1869765939 1.000000000
|
|
97 0.1965618955 1.000000000
|
|
98 0.1965619902 1.000000000
|
|
99 0.1986864258 1.000000000
|
|
100 0.1986864478 1.000000000
|
|
101 0.2034702317 1.000000000
|
|
102 0.2034703696 1.000000000
|
|
103 0.2127212816 1.000000000
|
|
104 0.2127212978 1.000000000
|
|
105 0.2131531904 1.000000000
|
|
106 0.2131532336 1.000000000
|
|
107 0.2245546199 1.000000000
|
|
108 0.2245546611 1.000000000
|
|
109 0.2255600682 1.000000000
|
|
110 0.2255601537 1.000000000
|
|
111 0.2487174728 1.000000000
|
|
112 0.2487175156 1.000000000
|
|
113 0.2585463908 1.000000000
|
|
114 0.2585467075 1.000000000
|
|
115 0.3029133954 0.3407456139E-01
|
|
116 0.3029135332 0.3407002458E-01
|
|
117 0.3176166308 0.1451953401E-07
|
|
118 0.3176166540 0.1451919684E-07
|
|
119 0.4154051249 0.000000000
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|
120 0.4154056907 0.000000000
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|
121 0.4168232500 0.000000000
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|
122 0.4168233496 0.000000000
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|
123 0.4881147424 0.000000000
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|
124 0.4881152308 0.000000000
|
|
125 0.4961504532 0.000000000
|
|
126 0.4961507845 0.000000000
|
|
127 0.4970971396 0.000000000
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|
128 0.4970973487 0.000000000
|
|
129 0.5001977316 0.000000000
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|
130 0.5001978455 0.000000000
|
|
131 0.5030212314 0.000000000
|
|
132 0.5030216948 0.000000000
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|
133 0.5122969374 0.000000000
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|
134 0.5122972918 0.000000000
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|
135 0.5270973219 0.000000000
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|
136 0.5270976647 0.000000000
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|
137 0.5292728637 0.000000000
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|
138 0.5292733564 0.000000000
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|
139 0.5684932367 0.000000000
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|
140 0.5684934068 0.000000000
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|
141 0.5687454017 0.000000000
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|
142 0.5687456465 0.000000000
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|
143 0.5711846042 0.000000000
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|
144 0.5711847088 0.000000000
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|
145 0.6103688153 0.000000000
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|
146 0.6103691065 0.000000000
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|
147 0.6113870603 0.000000000
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|
148 0.6113873506 0.000000000
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|
149 0.6195613105 0.000000000
|
|
150 0.6195618714 0.000000000
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|
151 0.6562301783 0.000000000
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|
152 0.6562302333 0.000000000
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|
153 0.6698247102 0.000000000
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|
154 0.6698247861 0.000000000
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155 0.6709852623 0.000000000
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156 0.6709854083 0.000000000
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157 0.6813540171 0.000000000
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158 0.6813541242 0.000000000
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159 0.6846567171 0.000000000
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160 0.6846572893 0.000000000
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161 0.7006602928 0.000000000
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162 0.7006605644 0.000000000
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163 0.7052711858 0.000000000
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|
164 0.7052713905 0.000000000
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165 0.7121101485 0.000000000
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|
166 0.7121102746 0.000000000
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167 0.7165982340 0.000000000
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168 0.7165982722 0.000000000
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|
169 0.7214071730 0.000000000
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|
170 0.7214073585 0.000000000
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|
171 0.8130612218 0.000000000
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172 0.8130612677 0.000000000
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173 0.8260615843 0.000000000
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174 0.8260617455 0.000000000
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175 0.8300892546 0.000000000
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|
176 0.8300896124 0.000000000
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|
177 0.8920182796 0.000000000
|
|
178 0.8920185346 0.000000000
|
|
179 0.8946067502 0.000000000
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|
180 0.8946069072 0.000000000
|
|
181 0.9063055634 0.000000000
|
|
182 0.9063056932 0.000000000
|
|
183 0.9070969755 0.000000000
|
|
184 0.9070970792 0.000000000
|
|
185 0.9388270747 0.000000000
|
|
186 0.9388274403 0.000000000
|
|
187 0.9501193830 0.000000000
|
|
188 0.9501199617 0.000000000
|
|
189 0.9536115027 0.000000000
|
|
190 0.9536120083 0.000000000
|
|
191 0.9744212092 0.000000000
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|
192 0.9744212680 0.000000000
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193 0.9867728767 0.000000000
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|
194 0.9867731519 0.000000000
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195 0.9890174447 0.000000000
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|
196 0.9890175815 0.000000000
|
|
197 0.9936150349 0.000000000
|
|
198 0.9936153691 0.000000000
|
|
|
|
|
|
22 0.2500000000 0.2500000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353819 1.000000000
|
|
2 -2.763353817 1.000000000
|
|
3 -2.763351735 1.000000000
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|
4 -2.763351733 1.000000000
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5 -2.763349200 1.000000000
|
|
6 -2.763349197 1.000000000
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|
7 -2.763343504 1.000000000
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8 -2.763343502 1.000000000
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|
9 -2.669479101 1.000000000
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10 -2.669479093 1.000000000
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11 -2.669478044 1.000000000
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12 -2.669478042 1.000000000
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13 -2.669475866 1.000000000
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14 -2.669475858 1.000000000
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15 -2.669473843 1.000000000
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|
16 -2.669473839 1.000000000
|
|
17 -2.669437907 1.000000000
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|
18 -2.669437903 1.000000000
|
|
19 -2.669435144 1.000000000
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|
20 -2.669435141 1.000000000
|
|
21 -1.909411862 1.000000000
|
|
22 -1.909411853 1.000000000
|
|
23 -1.909409672 1.000000000
|
|
24 -1.909409662 1.000000000
|
|
25 -1.905817247 1.000000000
|
|
26 -1.905817237 1.000000000
|
|
27 -1.851132957 1.000000000
|
|
28 -1.851132911 1.000000000
|
|
29 -1.795950876 1.000000000
|
|
30 -1.795950847 1.000000000
|
|
31 -1.794097168 1.000000000
|
|
32 -1.794097162 1.000000000
|
|
33 -1.794093432 1.000000000
|
|
34 -1.794093413 1.000000000
|
|
35 -1.790798842 1.000000000
|
|
36 -1.790798818 1.000000000
|
|
37 -1.415343413 1.000000000
|
|
38 -1.415343308 1.000000000
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|
39 -1.415147470 1.000000000
|
|
40 -1.415147334 1.000000000
|
|
41 -1.189026087 1.000000000
|
|
42 -1.189026084 1.000000000
|
|
43 -0.6661884740 1.000000000
|
|
44 -0.6661884735 1.000000000
|
|
45 -0.6630592527 1.000000000
|
|
46 -0.6630592521 1.000000000
|
|
47 -0.5088173995 1.000000000
|
|
48 -0.5088173154 1.000000000
|
|
49 -0.4657725387 1.000000000
|
|
50 -0.4657724020 1.000000000
|
|
51 -0.4650228609 1.000000000
|
|
52 -0.4650226584 1.000000000
|
|
53 -0.3653573670 1.000000000
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|
54 -0.3653573083 1.000000000
|
|
55 -0.3426603781 1.000000000
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|
56 -0.3426602604 1.000000000
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|
57 -0.3351913710 1.000000000
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|
58 -0.3351913121 1.000000000
|
|
59 -0.3293676341 1.000000000
|
|
60 -0.3293675767 1.000000000
|
|
61 -0.3177161875 1.000000000
|
|
62 -0.3177161469 1.000000000
|
|
63 -0.3094075972 1.000000000
|
|
64 -0.3094075800 1.000000000
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65 -0.1725699427 1.000000000
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66 -0.1725698362 1.000000000
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|
67 -0.1643883622 1.000000000
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68 -0.1643882565 1.000000000
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69 -0.1096879824 1.000000000
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|
70 -0.1096877767 1.000000000
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|
71 -0.1038751819 1.000000000
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|
72 -0.1038750107 1.000000000
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|
73 -0.9567325169E-01 1.000000000
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74 -0.9567303642E-01 1.000000000
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75 -0.9284750730E-01 1.000000000
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76 -0.9284728198E-01 1.000000000
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77 0.5824842843E-01 1.000000000
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78 0.5824874179E-01 1.000000000
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79 0.7017343805E-01 1.000000000
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80 0.7017385529E-01 1.000000000
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81 0.9293540578E-01 1.000000000
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82 0.9293542740E-01 1.000000000
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83 0.9699159125E-01 1.000000000
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|
84 0.9699164307E-01 1.000000000
|
|
85 0.1075300688 1.000000000
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|
86 0.1075301735 1.000000000
|
|
87 0.1094801397 1.000000000
|
|
88 0.1094802451 1.000000000
|
|
89 0.1391385513 1.000000000
|
|
90 0.1391386750 1.000000000
|
|
91 0.1580075203 1.000000000
|
|
92 0.1580076923 1.000000000
|
|
93 0.1700920007 1.000000000
|
|
94 0.1700920303 1.000000000
|
|
95 0.1870015495 1.000000000
|
|
96 0.1870016307 1.000000000
|
|
97 0.1957639025 1.000000000
|
|
98 0.1957639379 1.000000000
|
|
99 0.2008472230 1.000000000
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|
100 0.2008472777 1.000000000
|
|
101 0.2099494535 1.000000000
|
|
102 0.2099495252 1.000000000
|
|
103 0.2201653943 1.000000000
|
|
104 0.2201654847 1.000000000
|
|
105 0.2227896696 1.000000000
|
|
106 0.2227897491 1.000000000
|
|
107 0.2311893399 1.000000000
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|
108 0.2311893618 1.000000000
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|
109 0.2328480830 1.000000000
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|
110 0.2328480922 1.000000000
|
|
111 0.2451798868 1.000000000
|
|
112 0.2451799388 1.000000000
|
|
113 0.2754446771 1.000000000
|
|
114 0.2754447824 1.000000000
|
|
115 0.2921733324 0.9993863840
|
|
116 0.2921734918 0.9993862862
|
|
117 0.3053297773 0.3138341750E-02
|
|
118 0.3053299102 0.3137926020E-02
|
|
119 0.4221472211 0.000000000
|
|
120 0.4221472862 0.000000000
|
|
121 0.4436055369 0.000000000
|
|
122 0.4436057517 0.000000000
|
|
123 0.4602174897 0.000000000
|
|
124 0.4602177092 0.000000000
|
|
125 0.4686646093 0.000000000
|
|
126 0.4686650826 0.000000000
|
|
127 0.4739782045 0.000000000
|
|
128 0.4739784274 0.000000000
|
|
129 0.4781528461 0.000000000
|
|
130 0.4781530974 0.000000000
|
|
131 0.4839920729 0.000000000
|
|
132 0.4839922011 0.000000000
|
|
133 0.5049450468 0.000000000
|
|
134 0.5049451990 0.000000000
|
|
135 0.5159467646 0.000000000
|
|
136 0.5159469041 0.000000000
|
|
137 0.5261113318 0.000000000
|
|
138 0.5261116078 0.000000000
|
|
139 0.5339583913 0.000000000
|
|
140 0.5339585548 0.000000000
|
|
141 0.5471980770 0.000000000
|
|
142 0.5471985784 0.000000000
|
|
143 0.5623986412 0.000000000
|
|
144 0.5623987835 0.000000000
|
|
145 0.5898177627 0.000000000
|
|
146 0.5898178069 0.000000000
|
|
147 0.5916504421 0.000000000
|
|
148 0.5916504704 0.000000000
|
|
149 0.5995867838 0.000000000
|
|
150 0.5995869110 0.000000000
|
|
151 0.6440865991 0.000000000
|
|
152 0.6440870152 0.000000000
|
|
153 0.6736831461 0.000000000
|
|
154 0.6736832528 0.000000000
|
|
155 0.6756993879 0.000000000
|
|
156 0.6756995268 0.000000000
|
|
157 0.7023871665 0.000000000
|
|
158 0.7023873498 0.000000000
|
|
159 0.7127235329 0.000000000
|
|
160 0.7127236295 0.000000000
|
|
161 0.7361449461 0.000000000
|
|
162 0.7361452342 0.000000000
|
|
163 0.7481798070 0.000000000
|
|
164 0.7481799353 0.000000000
|
|
165 0.7698162567 0.000000000
|
|
166 0.7698163682 0.000000000
|
|
167 0.7827246210 0.000000000
|
|
168 0.7827247020 0.000000000
|
|
169 0.7924271495 0.000000000
|
|
170 0.7924273411 0.000000000
|
|
171 0.8127371324 0.000000000
|
|
172 0.8127372696 0.000000000
|
|
173 0.8399716365 0.000000000
|
|
174 0.8399719360 0.000000000
|
|
175 0.8572303646 0.000000000
|
|
176 0.8572304227 0.000000000
|
|
177 0.8605776663 0.000000000
|
|
178 0.8605778314 0.000000000
|
|
179 0.8785113544 0.000000000
|
|
180 0.8785119798 0.000000000
|
|
181 0.8916170035 0.000000000
|
|
182 0.8916173885 0.000000000
|
|
183 0.9104965730 0.000000000
|
|
184 0.9104967800 0.000000000
|
|
185 0.9131526046 0.000000000
|
|
186 0.9131531364 0.000000000
|
|
187 0.9217379928 0.000000000
|
|
188 0.9217385292 0.000000000
|
|
189 0.9303829696 0.000000000
|
|
190 0.9303830866 0.000000000
|
|
191 0.9422371969 0.000000000
|
|
192 0.9422376464 0.000000000
|
|
193 0.9689912288 0.000000000
|
|
194 0.9689913602 0.000000000
|
|
195 0.9755339776 0.000000000
|
|
196 0.9755342221 0.000000000
|
|
197 0.9993301731 0.000000000
|
|
198 0.9993303664 0.000000000
|
|
|
|
|
|
23 0.3750000000 0.2500000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352933 1.000000000
|
|
2 -2.763352929 1.000000000
|
|
3 -2.763351227 1.000000000
|
|
4 -2.763351226 1.000000000
|
|
5 -2.763346687 1.000000000
|
|
6 -2.763346687 1.000000000
|
|
7 -2.763342301 1.000000000
|
|
8 -2.763342299 1.000000000
|
|
9 -2.669478542 1.000000000
|
|
10 -2.669478533 1.000000000
|
|
11 -2.669477776 1.000000000
|
|
12 -2.669477773 1.000000000
|
|
13 -2.669474691 1.000000000
|
|
14 -2.669474684 1.000000000
|
|
15 -2.669472839 1.000000000
|
|
16 -2.669472835 1.000000000
|
|
17 -2.669436764 1.000000000
|
|
18 -2.669436761 1.000000000
|
|
19 -2.669435508 1.000000000
|
|
20 -2.669435506 1.000000000
|
|
21 -1.909408720 1.000000000
|
|
22 -1.909408701 1.000000000
|
|
23 -1.909403260 1.000000000
|
|
24 -1.909403247 1.000000000
|
|
25 -1.905810603 1.000000000
|
|
26 -1.905810594 1.000000000
|
|
27 -1.851045173 1.000000000
|
|
28 -1.851045113 1.000000000
|
|
29 -1.795947109 1.000000000
|
|
30 -1.795947083 1.000000000
|
|
31 -1.794091663 1.000000000
|
|
32 -1.794091661 1.000000000
|
|
33 -1.794086135 1.000000000
|
|
34 -1.794086119 1.000000000
|
|
35 -1.790792014 1.000000000
|
|
36 -1.790791990 1.000000000
|
|
37 -1.415279171 1.000000000
|
|
38 -1.415279040 1.000000000
|
|
39 -1.415149486 1.000000000
|
|
40 -1.415149296 1.000000000
|
|
41 -1.189024854 1.000000000
|
|
42 -1.189024852 1.000000000
|
|
43 -0.6654283491 1.000000000
|
|
44 -0.6654283485 1.000000000
|
|
45 -0.6637154448 1.000000000
|
|
46 -0.6637154442 1.000000000
|
|
47 -0.5088508925 1.000000000
|
|
48 -0.5088508143 1.000000000
|
|
49 -0.4661433476 1.000000000
|
|
50 -0.4661432779 1.000000000
|
|
51 -0.4651640606 1.000000000
|
|
52 -0.4651638534 1.000000000
|
|
53 -0.3630854626 1.000000000
|
|
54 -0.3630853989 1.000000000
|
|
55 -0.3422761414 1.000000000
|
|
56 -0.3422760730 1.000000000
|
|
57 -0.3387952595 1.000000000
|
|
58 -0.3387951443 1.000000000
|
|
59 -0.3263222061 1.000000000
|
|
60 -0.3263221379 1.000000000
|
|
61 -0.3207621846 1.000000000
|
|
62 -0.3207621314 1.000000000
|
|
63 -0.3118246840 1.000000000
|
|
64 -0.3118246590 1.000000000
|
|
65 -0.1685577225 1.000000000
|
|
66 -0.1685576130 1.000000000
|
|
67 -0.1643242803 1.000000000
|
|
68 -0.1643241695 1.000000000
|
|
69 -0.1046389770 1.000000000
|
|
70 -0.1046387967 1.000000000
|
|
71 -0.9709311001E-01 1.000000000
|
|
72 -0.9709295370E-01 1.000000000
|
|
73 -0.9659227456E-01 1.000000000
|
|
74 -0.9659207344E-01 1.000000000
|
|
75 -0.9194351733E-01 1.000000000
|
|
76 -0.9194333021E-01 1.000000000
|
|
77 0.6096008287E-01 1.000000000
|
|
78 0.6096039085E-01 1.000000000
|
|
79 0.7518771439E-01 1.000000000
|
|
80 0.7518804094E-01 1.000000000
|
|
81 0.9037468756E-01 1.000000000
|
|
82 0.9037477093E-01 1.000000000
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83 0.9629737126E-01 1.000000000
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84 0.9629741731E-01 1.000000000
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|
85 0.1029882844 1.000000000
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|
86 0.1029884538 1.000000000
|
|
87 0.1081046662 1.000000000
|
|
88 0.1081047404 1.000000000
|
|
89 0.1386600167 1.000000000
|
|
90 0.1386601892 1.000000000
|
|
91 0.1517817748 1.000000000
|
|
92 0.1517820086 1.000000000
|
|
93 0.1641686195 1.000000000
|
|
94 0.1641686725 1.000000000
|
|
95 0.1817655755 1.000000000
|
|
96 0.1817656869 1.000000000
|
|
97 0.1887144610 1.000000000
|
|
98 0.1887145561 1.000000000
|
|
99 0.1961069780 1.000000000
|
|
100 0.1961071170 1.000000000
|
|
101 0.2118147585 1.000000000
|
|
102 0.2118148168 1.000000000
|
|
103 0.2133384218 1.000000000
|
|
104 0.2133386149 1.000000000
|
|
105 0.2173868243 1.000000000
|
|
106 0.2173868947 1.000000000
|
|
107 0.2259886019 1.000000000
|
|
108 0.2259886233 1.000000000
|
|
109 0.2294302161 1.000000000
|
|
110 0.2294302383 1.000000000
|
|
111 0.2399883327 1.000000000
|
|
112 0.2399883912 1.000000000
|
|
113 0.2817450562 0.9999999818
|
|
114 0.2817451576 0.9999999818
|
|
115 0.2938552901 0.9967099915
|
|
116 0.2938554306 0.9967095309
|
|
117 0.3090267465 0.7806531526E-04
|
|
118 0.3090268503 0.7805721225E-04
|
|
119 0.4293210236 0.000000000
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|
120 0.4293211274 0.000000000
|
|
121 0.4479887974 0.000000000
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|
122 0.4479890517 0.000000000
|
|
123 0.4705354163 0.000000000
|
|
124 0.4705356268 0.000000000
|
|
125 0.4807649802 0.000000000
|
|
126 0.4807651750 0.000000000
|
|
127 0.4857855804 0.000000000
|
|
128 0.4857856932 0.000000000
|
|
129 0.4871063254 0.000000000
|
|
130 0.4871064952 0.000000000
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|
131 0.4965745897 0.000000000
|
|
132 0.4965749920 0.000000000
|
|
133 0.5184117008 0.000000000
|
|
134 0.5184119253 0.000000000
|
|
135 0.5263872409 0.000000000
|
|
136 0.5263874045 0.000000000
|
|
137 0.5304971816 0.000000000
|
|
138 0.5304974002 0.000000000
|
|
139 0.5385155014 0.000000000
|
|
140 0.5385160134 0.000000000
|
|
141 0.5508379870 0.000000000
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|
142 0.5508383533 0.000000000
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|
143 0.5627912819 0.000000000
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|
144 0.5627916353 0.000000000
|
|
145 0.5790239126 0.000000000
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|
146 0.5790240343 0.000000000
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|
147 0.5903814785 0.000000000
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|
148 0.5903818039 0.000000000
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|
149 0.5989172770 0.000000000
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|
150 0.5989174285 0.000000000
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|
151 0.6366515215 0.000000000
|
|
152 0.6366518578 0.000000000
|
|
153 0.6570719898 0.000000000
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|
154 0.6570722132 0.000000000
|
|
155 0.6664887812 0.000000000
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|
156 0.6664890492 0.000000000
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157 0.7130946121 0.000000000
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|
158 0.7130947902 0.000000000
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159 0.7190486045 0.000000000
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160 0.7190487099 0.000000000
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161 0.7345871212 0.000000000
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162 0.7345873695 0.000000000
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163 0.7483524581 0.000000000
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164 0.7483525767 0.000000000
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165 0.7654069699 0.000000000
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166 0.7654071164 0.000000000
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168 0.7758720338 0.000000000
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169 0.7930101754 0.000000000
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|
170 0.7930104029 0.000000000
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171 0.8012862774 0.000000000
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172 0.8012864619 0.000000000
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173 0.8117314658 0.000000000
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174 0.8117318536 0.000000000
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175 0.8456338219 0.000000000
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176 0.8456339674 0.000000000
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177 0.8683679328 0.000000000
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178 0.8683686946 0.000000000
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179 0.8892271371 0.000000000
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|
180 0.8892273206 0.000000000
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181 0.8952002984 0.000000000
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182 0.8952003907 0.000000000
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183 0.8994483067 0.000000000
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184 0.8994484420 0.000000000
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185 0.9161089982 0.000000000
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186 0.9161091590 0.000000000
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187 0.9238759393 0.000000000
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188 0.9238761797 0.000000000
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189 0.9310337721 0.000000000
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|
190 0.9310341312 0.000000000
|
|
191 0.9472842584 0.000000000
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192 0.9472847622 0.000000000
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194 0.9513842698 0.000000000
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195 0.9711953389 0.000000000
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196 0.9711956409 0.000000000
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|
197 0.9822500315 0.000000000
|
|
198 0.9822506696 0.000000000
|
|
|
|
|
|
24 0.5000000000 0.2500000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353495 1.000000000
|
|
2 -2.763353490 1.000000000
|
|
3 -2.763350915 1.000000000
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|
4 -2.763350913 1.000000000
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5 -2.763344224 1.000000000
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6 -2.763344221 1.000000000
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7 -2.763341680 1.000000000
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8 -2.763341679 1.000000000
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|
9 -2.669478566 1.000000000
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|
10 -2.669478559 1.000000000
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|
11 -2.669477589 1.000000000
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12 -2.669477583 1.000000000
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13 -2.669473683 1.000000000
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|
14 -2.669473679 1.000000000
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|
15 -2.669472074 1.000000000
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|
16 -2.669472070 1.000000000
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|
17 -2.669436945 1.000000000
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|
18 -2.669436942 1.000000000
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|
19 -2.669435444 1.000000000
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|
20 -2.669435441 1.000000000
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|
21 -1.909409752 1.000000000
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|
22 -1.909409732 1.000000000
|
|
23 -1.909405658 1.000000000
|
|
24 -1.909405647 1.000000000
|
|
25 -1.905811355 1.000000000
|
|
26 -1.905811345 1.000000000
|
|
27 -1.850916263 1.000000000
|
|
28 -1.850916200 1.000000000
|
|
29 -1.795949134 1.000000000
|
|
30 -1.795949105 1.000000000
|
|
31 -1.794093221 1.000000000
|
|
32 -1.794093215 1.000000000
|
|
33 -1.794087744 1.000000000
|
|
34 -1.794087734 1.000000000
|
|
35 -1.790792606 1.000000000
|
|
36 -1.790792583 1.000000000
|
|
37 -1.415254692 1.000000000
|
|
38 -1.415254570 1.000000000
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|
39 -1.415106133 1.000000000
|
|
40 -1.415106028 1.000000000
|
|
41 -1.189024424 1.000000000
|
|
42 -1.189024421 1.000000000
|
|
43 -0.6646143954 1.000000000
|
|
44 -0.6646143948 1.000000000
|
|
45 -0.6644863529 1.000000000
|
|
46 -0.6644863524 1.000000000
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|
47 -0.5088651085 1.000000000
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|
48 -0.5088650331 1.000000000
|
|
49 -0.4663090645 1.000000000
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|
50 -0.4663089317 1.000000000
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|
51 -0.4652250701 1.000000000
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|
52 -0.4652248168 1.000000000
|
|
53 -0.3609044970 1.000000000
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|
54 -0.3609044424 1.000000000
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|
55 -0.3465195526 1.000000000
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56 -0.3465194716 1.000000000
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57 -0.3357028332 1.000000000
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|
58 -0.3357027308 1.000000000
|
|
59 -0.3288672718 1.000000000
|
|
60 -0.3288671803 1.000000000
|
|
61 -0.3174126654 1.000000000
|
|
62 -0.3174126264 1.000000000
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|
63 -0.3150988068 1.000000000
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|
64 -0.3150987743 1.000000000
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|
65 -0.1659078172 1.000000000
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|
66 -0.1659077070 1.000000000
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|
67 -0.1652583900 1.000000000
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|
68 -0.1652582809 1.000000000
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69 -0.1006127479 1.000000000
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|
70 -0.1006125409 1.000000000
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|
71 -0.9926120842E-01 1.000000000
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|
72 -0.9926099777E-01 1.000000000
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|
73 -0.9293609096E-01 1.000000000
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74 -0.9293605341E-01 1.000000000
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75 -0.9238376565E-01 1.000000000
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76 -0.9238372716E-01 1.000000000
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77 0.6525527815E-01 1.000000000
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78 0.6525556010E-01 1.000000000
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79 0.7245581668E-01 1.000000000
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80 0.7245607691E-01 1.000000000
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81 0.8933163472E-01 1.000000000
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82 0.8933172535E-01 1.000000000
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|
83 0.9748327385E-01 1.000000000
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|
84 0.9748345216E-01 1.000000000
|
|
85 0.1011853797 1.000000000
|
|
86 0.1011856115 1.000000000
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87 0.1073412634 1.000000000
|
|
88 0.1073413271 1.000000000
|
|
89 0.1344145834 1.000000000
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90 0.1344148612 1.000000000
|
|
91 0.1518062496 1.000000000
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|
92 0.1518063680 1.000000000
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|
93 0.1617398765 1.000000000
|
|
94 0.1617400257 1.000000000
|
|
95 0.1839760898 1.000000000
|
|
96 0.1839761118 1.000000000
|
|
97 0.1862036649 1.000000000
|
|
98 0.1862037306 1.000000000
|
|
99 0.1903365936 1.000000000
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|
100 0.1903366695 1.000000000
|
|
101 0.2102016663 1.000000000
|
|
102 0.2102017687 1.000000000
|
|
103 0.2126545477 1.000000000
|
|
104 0.2126546338 1.000000000
|
|
105 0.2154135684 1.000000000
|
|
106 0.2154135893 1.000000000
|
|
107 0.2214834891 1.000000000
|
|
108 0.2214835187 1.000000000
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|
109 0.2325871960 1.000000000
|
|
110 0.2325872264 1.000000000
|
|
111 0.2346380105 1.000000000
|
|
112 0.2346380467 1.000000000
|
|
113 0.2859582480 0.9999987726
|
|
114 0.2859584373 0.9999987724
|
|
115 0.2926948689 0.9989667279
|
|
116 0.2926949711 0.9989666224
|
|
117 0.3100688499 0.2753596589E-04
|
|
118 0.3100689341 0.2753364574E-04
|
|
119 0.4351396083 0.000000000
|
|
120 0.4351397288 0.000000000
|
|
121 0.4470549205 0.000000000
|
|
122 0.4470551429 0.000000000
|
|
123 0.4759331552 0.000000000
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|
124 0.4759333550 0.000000000
|
|
125 0.4801203493 0.000000000
|
|
126 0.4801206190 0.000000000
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|
127 0.4876949656 0.000000000
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|
128 0.4876951884 0.000000000
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|
129 0.5036805159 0.000000000
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|
130 0.5036806475 0.000000000
|
|
131 0.5047787748 0.000000000
|
|
132 0.5047790694 0.000000000
|
|
133 0.5202070536 0.000000000
|
|
134 0.5202071759 0.000000000
|
|
135 0.5249846982 0.000000000
|
|
136 0.5249850457 0.000000000
|
|
137 0.5316866427 0.000000000
|
|
138 0.5316868763 0.000000000
|
|
139 0.5393237791 0.000000000
|
|
140 0.5393241596 0.000000000
|
|
141 0.5538896579 0.000000000
|
|
142 0.5538900471 0.000000000
|
|
143 0.5554982242 0.000000000
|
|
144 0.5554986454 0.000000000
|
|
145 0.5828587628 0.000000000
|
|
146 0.5828590187 0.000000000
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|
147 0.5966046317 0.000000000
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|
148 0.5966047669 0.000000000
|
|
149 0.6037022319 0.000000000
|
|
150 0.6037023229 0.000000000
|
|
151 0.6279789239 0.000000000
|
|
152 0.6279789715 0.000000000
|
|
153 0.6412636653 0.000000000
|
|
154 0.6412638467 0.000000000
|
|
155 0.6561675246 0.000000000
|
|
156 0.6561680546 0.000000000
|
|
157 0.7218097870 0.000000000
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|
158 0.7218098459 0.000000000
|
|
159 0.7300053917 0.000000000
|
|
160 0.7300055629 0.000000000
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|
161 0.7445753562 0.000000000
|
|
162 0.7445755197 0.000000000
|
|
163 0.7473675365 0.000000000
|
|
164 0.7473675855 0.000000000
|
|
165 0.7594310696 0.000000000
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|
166 0.7594313357 0.000000000
|
|
167 0.7615310327 0.000000000
|
|
168 0.7615312330 0.000000000
|
|
169 0.7917975429 0.000000000
|
|
170 0.7917979484 0.000000000
|
|
171 0.8073369586 0.000000000
|
|
172 0.8073373079 0.000000000
|
|
173 0.8306166228 0.000000000
|
|
174 0.8306167638 0.000000000
|
|
175 0.8398805167 0.000000000
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|
176 0.8398806221 0.000000000
|
|
177 0.8451206215 0.000000000
|
|
178 0.8451208105 0.000000000
|
|
179 0.8571691609 0.000000000
|
|
180 0.8571692354 0.000000000
|
|
181 0.8947917874 0.000000000
|
|
182 0.8947918675 0.000000000
|
|
183 0.8996749218 0.000000000
|
|
184 0.8996750913 0.000000000
|
|
185 0.9128450649 0.000000000
|
|
186 0.9128452759 0.000000000
|
|
187 0.9257089310 0.000000000
|
|
188 0.9257090426 0.000000000
|
|
189 0.9441387420 0.000000000
|
|
190 0.9441391212 0.000000000
|
|
191 0.9489147970 0.000000000
|
|
192 0.9489151366 0.000000000
|
|
193 0.9559218246 0.000000000
|
|
194 0.9559222032 0.000000000
|
|
195 0.9639904822 0.000000000
|
|
196 0.9639908665 0.000000000
|
|
197 0.9721407982 0.000000000
|
|
198 0.9721411127 0.000000000
|
|
|
|
|
|
25 0.3750000000 0.3750000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353031 1.000000000
|
|
2 -2.763353028 1.000000000
|
|
3 -2.763350046 1.000000000
|
|
4 -2.763350045 1.000000000
|
|
5 -2.763343454 1.000000000
|
|
6 -2.763343451 1.000000000
|
|
7 -2.763339467 1.000000000
|
|
8 -2.763339466 1.000000000
|
|
9 -2.669477957 1.000000000
|
|
10 -2.669477951 1.000000000
|
|
11 -2.669477640 1.000000000
|
|
12 -2.669477636 1.000000000
|
|
13 -2.669472828 1.000000000
|
|
14 -2.669472821 1.000000000
|
|
15 -2.669470714 1.000000000
|
|
16 -2.669470711 1.000000000
|
|
17 -2.669436672 1.000000000
|
|
18 -2.669436669 1.000000000
|
|
19 -2.669435397 1.000000000
|
|
20 -2.669435395 1.000000000
|
|
21 -1.909406169 1.000000000
|
|
22 -1.909406155 1.000000000
|
|
23 -1.909404300 1.000000000
|
|
24 -1.909404286 1.000000000
|
|
25 -1.905809259 1.000000000
|
|
26 -1.905809249 1.000000000
|
|
27 -1.850920895 1.000000000
|
|
28 -1.850920831 1.000000000
|
|
29 -1.795946422 1.000000000
|
|
30 -1.795946397 1.000000000
|
|
31 -1.794090749 1.000000000
|
|
32 -1.794090738 1.000000000
|
|
33 -1.794084709 1.000000000
|
|
34 -1.794084692 1.000000000
|
|
35 -1.790790445 1.000000000
|
|
36 -1.790790420 1.000000000
|
|
37 -1.415244319 1.000000000
|
|
38 -1.415244168 1.000000000
|
|
39 -1.415113487 1.000000000
|
|
40 -1.415113362 1.000000000
|
|
41 -1.189024200 1.000000000
|
|
42 -1.189024197 1.000000000
|
|
43 -0.6648029851 1.000000000
|
|
44 -0.6648029844 1.000000000
|
|
45 -0.6642643889 1.000000000
|
|
46 -0.6642643884 1.000000000
|
|
47 -0.5087800327 1.000000000
|
|
48 -0.5087799494 1.000000000
|
|
49 -0.4661688070 1.000000000
|
|
50 -0.4661687603 1.000000000
|
|
51 -0.4649850512 1.000000000
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|
52 -0.4649848953 1.000000000
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|
53 -0.3649013649 1.000000000
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|
54 -0.3649012932 1.000000000
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|
55 -0.3481829879 1.000000000
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56 -0.3481829102 1.000000000
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|
57 -0.3361207454 1.000000000
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|
58 -0.3361206453 1.000000000
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|
59 -0.3286754216 1.000000000
|
|
60 -0.3286753294 1.000000000
|
|
61 -0.3163585821 1.000000000
|
|
62 -0.3163585401 1.000000000
|
|
63 -0.3103593198 1.000000000
|
|
64 -0.3103592993 1.000000000
|
|
65 -0.1656976917 1.000000000
|
|
66 -0.1656975845 1.000000000
|
|
67 -0.1641746284 1.000000000
|
|
68 -0.1641745136 1.000000000
|
|
69 -0.9990871722E-01 1.000000000
|
|
70 -0.9990852354E-01 1.000000000
|
|
71 -0.9682251143E-01 1.000000000
|
|
72 -0.9682230637E-01 1.000000000
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|
73 -0.9361025954E-01 1.000000000
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74 -0.9361010308E-01 1.000000000
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75 -0.9211062610E-01 1.000000000
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|
76 -0.9211037688E-01 1.000000000
|
|
77 0.5736982054E-01 1.000000000
|
|
78 0.5737014171E-01 1.000000000
|
|
79 0.7046981322E-01 1.000000000
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80 0.7047011009E-01 1.000000000
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|
81 0.8859188406E-01 1.000000000
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|
82 0.8859202342E-01 1.000000000
|
|
83 0.9532499547E-01 1.000000000
|
|
84 0.9532505836E-01 1.000000000
|
|
85 0.9869213559E-01 1.000000000
|
|
86 0.9869236704E-01 1.000000000
|
|
87 0.1066506555 1.000000000
|
|
88 0.1066507338 1.000000000
|
|
89 0.1359114747 1.000000000
|
|
90 0.1359117116 1.000000000
|
|
91 0.1553313694 1.000000000
|
|
92 0.1553315341 1.000000000
|
|
93 0.1623485495 1.000000000
|
|
94 0.1623485857 1.000000000
|
|
95 0.1864719389 1.000000000
|
|
96 0.1864720341 1.000000000
|
|
97 0.1879134456 1.000000000
|
|
98 0.1879135426 1.000000000
|
|
99 0.2011460016 1.000000000
|
|
100 0.2011460559 1.000000000
|
|
101 0.2064044618 1.000000000
|
|
102 0.2064045740 1.000000000
|
|
103 0.2104449345 1.000000000
|
|
104 0.2104449644 1.000000000
|
|
105 0.2133920998 1.000000000
|
|
106 0.2133921844 1.000000000
|
|
107 0.2172416780 1.000000000
|
|
108 0.2172416964 1.000000000
|
|
109 0.2333046496 1.000000000
|
|
110 0.2333047013 1.000000000
|
|
111 0.2345667765 1.000000000
|
|
112 0.2345668044 1.000000000
|
|
113 0.2855129380 0.9999992137
|
|
114 0.2855131530 0.9999992135
|
|
115 0.2920487981 0.9994581946
|
|
116 0.2920489141 0.9994581318
|
|
117 0.3114239168 0.7102497354E-05
|
|
118 0.3114239738 0.7102093097E-05
|
|
119 0.4240317526 0.000000000
|
|
120 0.4240318702 0.000000000
|
|
121 0.4449884083 0.000000000
|
|
122 0.4449887061 0.000000000
|
|
123 0.4797081617 0.000000000
|
|
124 0.4797084599 0.000000000
|
|
125 0.4877883822 0.000000000
|
|
126 0.4877887055 0.000000000
|
|
127 0.4902223360 0.000000000
|
|
128 0.4902224800 0.000000000
|
|
129 0.4998871801 0.000000000
|
|
130 0.4998874063 0.000000000
|
|
131 0.5129737938 0.000000000
|
|
132 0.5129741097 0.000000000
|
|
133 0.5240213044 0.000000000
|
|
134 0.5240218677 0.000000000
|
|
135 0.5319139168 0.000000000
|
|
136 0.5319141875 0.000000000
|
|
137 0.5342413431 0.000000000
|
|
138 0.5342415464 0.000000000
|
|
139 0.5361614470 0.000000000
|
|
140 0.5361617885 0.000000000
|
|
141 0.5588435917 0.000000000
|
|
142 0.5588437421 0.000000000
|
|
143 0.5681736376 0.000000000
|
|
144 0.5681739269 0.000000000
|
|
145 0.5771385527 0.000000000
|
|
146 0.5771387590 0.000000000
|
|
147 0.5943045133 0.000000000
|
|
148 0.5943046530 0.000000000
|
|
149 0.5985998686 0.000000000
|
|
150 0.5985999406 0.000000000
|
|
151 0.6308857555 0.000000000
|
|
152 0.6308858373 0.000000000
|
|
153 0.6530041867 0.000000000
|
|
154 0.6530047055 0.000000000
|
|
155 0.6734889726 0.000000000
|
|
156 0.6734890871 0.000000000
|
|
157 0.6791691296 0.000000000
|
|
158 0.6791692337 0.000000000
|
|
159 0.7155149652 0.000000000
|
|
160 0.7155151903 0.000000000
|
|
161 0.7185305773 0.000000000
|
|
162 0.7185307318 0.000000000
|
|
163 0.7444159914 0.000000000
|
|
164 0.7444162623 0.000000000
|
|
165 0.7705132497 0.000000000
|
|
166 0.7705135206 0.000000000
|
|
167 0.7772691828 0.000000000
|
|
168 0.7772694082 0.000000000
|
|
169 0.7807658242 0.000000000
|
|
170 0.7807659768 0.000000000
|
|
171 0.7914075578 0.000000000
|
|
172 0.7914076880 0.000000000
|
|
173 0.8354579664 0.000000000
|
|
174 0.8354582235 0.000000000
|
|
175 0.8426691586 0.000000000
|
|
176 0.8426692217 0.000000000
|
|
177 0.8540266576 0.000000000
|
|
178 0.8540267583 0.000000000
|
|
179 0.8731786372 0.000000000
|
|
180 0.8731787545 0.000000000
|
|
181 0.8841493659 0.000000000
|
|
182 0.8841494785 0.000000000
|
|
183 0.8908189100 0.000000000
|
|
184 0.8908190774 0.000000000
|
|
185 0.8936539120 0.000000000
|
|
186 0.8936541313 0.000000000
|
|
187 0.9059711299 0.000000000
|
|
188 0.9059712529 0.000000000
|
|
189 0.9518720416 0.000000000
|
|
190 0.9518722180 0.000000000
|
|
191 0.9550968740 0.000000000
|
|
192 0.9550970245 0.000000000
|
|
193 0.9643034404 0.000000000
|
|
194 0.9643037597 0.000000000
|
|
195 0.9884575734 0.000000000
|
|
196 0.9884578745 0.000000000
|
|
197 0.9944992539 0.000000000
|
|
198 0.9944995150 0.000000000
|
|
|
|
|
|
26 0.5000000000 0.3750000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352785 1.000000000
|
|
2 -2.763352783 1.000000000
|
|
3 -2.763350099 1.000000000
|
|
4 -2.763350097 1.000000000
|
|
5 -2.763342555 1.000000000
|
|
6 -2.763342552 1.000000000
|
|
7 -2.763340117 1.000000000
|
|
8 -2.763340116 1.000000000
|
|
9 -2.669478101 1.000000000
|
|
10 -2.669478096 1.000000000
|
|
11 -2.669477433 1.000000000
|
|
12 -2.669477424 1.000000000
|
|
13 -2.669472728 1.000000000
|
|
14 -2.669472724 1.000000000
|
|
15 -2.669470887 1.000000000
|
|
16 -2.669470885 1.000000000
|
|
17 -2.669436468 1.000000000
|
|
18 -2.669436465 1.000000000
|
|
19 -2.669435337 1.000000000
|
|
20 -2.669435334 1.000000000
|
|
21 -1.909406586 1.000000000
|
|
22 -1.909406569 1.000000000
|
|
23 -1.909404562 1.000000000
|
|
24 -1.909404546 1.000000000
|
|
25 -1.905809239 1.000000000
|
|
26 -1.905809229 1.000000000
|
|
27 -1.850867681 1.000000000
|
|
28 -1.850867617 1.000000000
|
|
29 -1.795947108 1.000000000
|
|
30 -1.795947079 1.000000000
|
|
31 -1.794091811 1.000000000
|
|
32 -1.794091796 1.000000000
|
|
33 -1.794083925 1.000000000
|
|
34 -1.794083914 1.000000000
|
|
35 -1.790790439 1.000000000
|
|
36 -1.790790415 1.000000000
|
|
37 -1.415223751 1.000000000
|
|
38 -1.415223627 1.000000000
|
|
39 -1.415104607 1.000000000
|
|
40 -1.415104430 1.000000000
|
|
41 -1.189024156 1.000000000
|
|
42 -1.189024153 1.000000000
|
|
43 -0.6648913034 1.000000000
|
|
44 -0.6648913027 1.000000000
|
|
45 -0.6641524602 1.000000000
|
|
46 -0.6641524593 1.000000000
|
|
47 -0.5087092866 1.000000000
|
|
48 -0.5087092034 1.000000000
|
|
49 -0.4659839245 1.000000000
|
|
50 -0.4659838384 1.000000000
|
|
51 -0.4648953652 1.000000000
|
|
52 -0.4648951716 1.000000000
|
|
53 -0.3671590759 1.000000000
|
|
54 -0.3671590144 1.000000000
|
|
55 -0.3495580319 1.000000000
|
|
56 -0.3495579397 1.000000000
|
|
57 -0.3389255327 1.000000000
|
|
58 -0.3389254130 1.000000000
|
|
59 -0.3252788630 1.000000000
|
|
60 -0.3252787953 1.000000000
|
|
61 -0.3126016990 1.000000000
|
|
62 -0.3126016669 1.000000000
|
|
63 -0.3111937423 1.000000000
|
|
64 -0.3111937183 1.000000000
|
|
65 -0.1650441550 1.000000000
|
|
66 -0.1650440440 1.000000000
|
|
67 -0.1639715511 1.000000000
|
|
68 -0.1639714444 1.000000000
|
|
69 -0.9926105252E-01 1.000000000
|
|
70 -0.9926082482E-01 1.000000000
|
|
71 -0.9615198351E-01 1.000000000
|
|
72 -0.9615180159E-01 1.000000000
|
|
73 -0.9282061420E-01 1.000000000
|
|
74 -0.9282051841E-01 1.000000000
|
|
75 -0.9203572441E-01 1.000000000
|
|
76 -0.9203567537E-01 1.000000000
|
|
77 0.5744650095E-01 1.000000000
|
|
78 0.5744678925E-01 1.000000000
|
|
79 0.6534910269E-01 1.000000000
|
|
80 0.6534939382E-01 1.000000000
|
|
81 0.8466241622E-01 1.000000000
|
|
82 0.8466251174E-01 1.000000000
|
|
83 0.9130333521E-01 1.000000000
|
|
84 0.9130360522E-01 1.000000000
|
|
85 0.9709034335E-01 1.000000000
|
|
86 0.9709049840E-01 1.000000000
|
|
87 0.1063120175 1.000000000
|
|
88 0.1063120790 1.000000000
|
|
89 0.1417885830 1.000000000
|
|
90 0.1417887942 1.000000000
|
|
91 0.1580662293 1.000000000
|
|
92 0.1580663043 1.000000000
|
|
93 0.1628529404 1.000000000
|
|
94 0.1628530275 1.000000000
|
|
95 0.1869663154 1.000000000
|
|
96 0.1869663607 1.000000000
|
|
97 0.1942002819 1.000000000
|
|
98 0.1942003825 1.000000000
|
|
99 0.2003502317 1.000000000
|
|
100 0.2003502907 1.000000000
|
|
101 0.2076300394 1.000000000
|
|
102 0.2076300910 1.000000000
|
|
103 0.2090232641 1.000000000
|
|
104 0.2090233246 1.000000000
|
|
105 0.2115113010 1.000000000
|
|
106 0.2115114029 1.000000000
|
|
107 0.2163963315 1.000000000
|
|
108 0.2163963832 1.000000000
|
|
109 0.2254797138 1.000000000
|
|
110 0.2254797614 1.000000000
|
|
111 0.2400785246 1.000000000
|
|
112 0.2400785666 1.000000000
|
|
113 0.2797669003 0.9999999975
|
|
114 0.2797671523 0.9999999975
|
|
115 0.2953764531 0.9851150341
|
|
116 0.2953765629 0.9851134251
|
|
117 0.3131137863 0.1310728082E-05
|
|
118 0.3131138348 0.1310664578E-05
|
|
119 0.4225702791 0.000000000
|
|
120 0.4225703898 0.000000000
|
|
121 0.4380004438 0.000000000
|
|
122 0.4380007288 0.000000000
|
|
123 0.4866173049 0.000000000
|
|
124 0.4866175480 0.000000000
|
|
125 0.4891977087 0.000000000
|
|
126 0.4891979612 0.000000000
|
|
127 0.4923424889 0.000000000
|
|
128 0.4923426790 0.000000000
|
|
129 0.5001124934 0.000000000
|
|
130 0.5001127771 0.000000000
|
|
131 0.5129075288 0.000000000
|
|
132 0.5129078592 0.000000000
|
|
133 0.5178266526 0.000000000
|
|
134 0.5178267837 0.000000000
|
|
135 0.5271382800 0.000000000
|
|
136 0.5271384335 0.000000000
|
|
137 0.5425398930 0.000000000
|
|
138 0.5425402034 0.000000000
|
|
139 0.5512455389 0.000000000
|
|
140 0.5512458739 0.000000000
|
|
141 0.5548398376 0.000000000
|
|
142 0.5548401460 0.000000000
|
|
143 0.5730057403 0.000000000
|
|
144 0.5730061527 0.000000000
|
|
145 0.5790193635 0.000000000
|
|
146 0.5790197304 0.000000000
|
|
147 0.5975594784 0.000000000
|
|
148 0.5975596515 0.000000000
|
|
149 0.5982607198 0.000000000
|
|
150 0.5982607897 0.000000000
|
|
151 0.6389188061 0.000000000
|
|
152 0.6389188901 0.000000000
|
|
153 0.6459623214 0.000000000
|
|
154 0.6459624235 0.000000000
|
|
155 0.6638513474 0.000000000
|
|
156 0.6638518676 0.000000000
|
|
157 0.7043875905 0.000000000
|
|
158 0.7043878006 0.000000000
|
|
159 0.7085453070 0.000000000
|
|
160 0.7085454436 0.000000000
|
|
161 0.7096584345 0.000000000
|
|
162 0.7096586113 0.000000000
|
|
163 0.7159147356 0.000000000
|
|
164 0.7159148326 0.000000000
|
|
165 0.7560244363 0.000000000
|
|
166 0.7560245317 0.000000000
|
|
167 0.7688209570 0.000000000
|
|
168 0.7688211617 0.000000000
|
|
169 0.7903115606 0.000000000
|
|
170 0.7903117312 0.000000000
|
|
171 0.8031415414 0.000000000
|
|
172 0.8031416779 0.000000000
|
|
173 0.8273194988 0.000000000
|
|
174 0.8273196782 0.000000000
|
|
175 0.8322383385 0.000000000
|
|
176 0.8322386882 0.000000000
|
|
177 0.8525832981 0.000000000
|
|
178 0.8525835917 0.000000000
|
|
179 0.8646783202 0.000000000
|
|
180 0.8646784901 0.000000000
|
|
181 0.8784683986 0.000000000
|
|
182 0.8784687764 0.000000000
|
|
183 0.8924875448 0.000000000
|
|
184 0.8924878774 0.000000000
|
|
185 0.9043618270 0.000000000
|
|
186 0.9043619613 0.000000000
|
|
187 0.9143357132 0.000000000
|
|
188 0.9143358887 0.000000000
|
|
189 0.9544473850 0.000000000
|
|
190 0.9544477857 0.000000000
|
|
191 0.9726579863 0.000000000
|
|
192 0.9726585940 0.000000000
|
|
193 0.9766289715 0.000000000
|
|
194 0.9766297246 0.000000000
|
|
195 0.9821217595 0.000000000
|
|
196 0.9821221705 0.000000000
|
|
197 0.9977198693 0.000000000
|
|
198 0.9977203663 0.000000000
|
|
|
|
|
|
27 0.6250000000 0.3750000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763352421 1.000000000
|
|
2 -2.763352419 1.000000000
|
|
3 -2.763350360 1.000000000
|
|
4 -2.763350356 1.000000000
|
|
5 -2.763344088 1.000000000
|
|
6 -2.763344086 1.000000000
|
|
7 -2.763341896 1.000000000
|
|
8 -2.763341895 1.000000000
|
|
9 -2.669478144 1.000000000
|
|
10 -2.669478138 1.000000000
|
|
11 -2.669477222 1.000000000
|
|
12 -2.669477214 1.000000000
|
|
13 -2.669473720 1.000000000
|
|
14 -2.669473718 1.000000000
|
|
15 -2.669471976 1.000000000
|
|
16 -2.669471973 1.000000000
|
|
17 -2.669436108 1.000000000
|
|
18 -2.669436104 1.000000000
|
|
19 -2.669435817 1.000000000
|
|
20 -2.669435814 1.000000000
|
|
21 -1.909405876 1.000000000
|
|
22 -1.909405857 1.000000000
|
|
23 -1.909402310 1.000000000
|
|
24 -1.909402299 1.000000000
|
|
25 -1.905808269 1.000000000
|
|
26 -1.905808258 1.000000000
|
|
27 -1.851188509 1.000000000
|
|
28 -1.851188450 1.000000000
|
|
29 -1.795945659 1.000000000
|
|
30 -1.795945631 1.000000000
|
|
31 -1.794090435 1.000000000
|
|
32 -1.794090418 1.000000000
|
|
33 -1.794082101 1.000000000
|
|
34 -1.794082093 1.000000000
|
|
35 -1.790789553 1.000000000
|
|
36 -1.790789529 1.000000000
|
|
37 -1.415307448 1.000000000
|
|
38 -1.415307369 1.000000000
|
|
39 -1.415196148 1.000000000
|
|
40 -1.415195958 1.000000000
|
|
41 -1.189024496 1.000000000
|
|
42 -1.189024493 1.000000000
|
|
43 -0.6654883017 1.000000000
|
|
44 -0.6654883009 1.000000000
|
|
45 -0.6635981882 1.000000000
|
|
46 -0.6635981872 1.000000000
|
|
47 -0.5086862951 1.000000000
|
|
48 -0.5086862112 1.000000000
|
|
49 -0.4656498060 1.000000000
|
|
50 -0.4656496440 1.000000000
|
|
51 -0.4649838082 1.000000000
|
|
52 -0.4649835494 1.000000000
|
|
53 -0.3689429136 1.000000000
|
|
54 -0.3689428598 1.000000000
|
|
55 -0.3460095256 1.000000000
|
|
56 -0.3460094295 1.000000000
|
|
57 -0.3423669501 1.000000000
|
|
58 -0.3423668175 1.000000000
|
|
59 -0.3203398936 1.000000000
|
|
60 -0.3203398595 1.000000000
|
|
61 -0.3152616136 1.000000000
|
|
62 -0.3152615740 1.000000000
|
|
63 -0.3103323597 1.000000000
|
|
64 -0.3103323280 1.000000000
|
|
65 -0.1672294526 1.000000000
|
|
66 -0.1672293426 1.000000000
|
|
67 -0.1635722162 1.000000000
|
|
68 -0.1635721127 1.000000000
|
|
69 -0.1028880878 1.000000000
|
|
70 -0.1028878706 1.000000000
|
|
71 -0.9544185183E-01 1.000000000
|
|
72 -0.9544168211E-01 1.000000000
|
|
73 -0.9456680782E-01 1.000000000
|
|
74 -0.9456658541E-01 1.000000000
|
|
75 -0.9232156612E-01 1.000000000
|
|
76 -0.9232146835E-01 1.000000000
|
|
77 0.5741260740E-01 1.000000000
|
|
78 0.5741287373E-01 1.000000000
|
|
79 0.6564582917E-01 1.000000000
|
|
80 0.6564611937E-01 1.000000000
|
|
81 0.8242407520E-01 1.000000000
|
|
82 0.8242424797E-01 1.000000000
|
|
83 0.8730389350E-01 1.000000000
|
|
84 0.8730413824E-01 1.000000000
|
|
85 0.1010291675 1.000000000
|
|
86 0.1010293505 1.000000000
|
|
87 0.1074350523 1.000000000
|
|
88 0.1074351403 1.000000000
|
|
89 0.1500208053 1.000000000
|
|
90 0.1500209300 1.000000000
|
|
91 0.1618019754 1.000000000
|
|
92 0.1618020353 1.000000000
|
|
93 0.1662046700 1.000000000
|
|
94 0.1662047326 1.000000000
|
|
95 0.1850106493 1.000000000
|
|
96 0.1850107323 1.000000000
|
|
97 0.1942817220 1.000000000
|
|
98 0.1942817904 1.000000000
|
|
99 0.1968908589 1.000000000
|
|
100 0.1968909099 1.000000000
|
|
101 0.2077943144 1.000000000
|
|
102 0.2077943546 1.000000000
|
|
103 0.2133283893 1.000000000
|
|
104 0.2133284836 1.000000000
|
|
105 0.2189380937 1.000000000
|
|
106 0.2189381826 1.000000000
|
|
107 0.2210429031 1.000000000
|
|
108 0.2210429492 1.000000000
|
|
109 0.2223551791 1.000000000
|
|
110 0.2223552202 1.000000000
|
|
111 0.2451455736 1.000000000
|
|
112 0.2451456199 1.000000000
|
|
113 0.2715355127 1.000000000
|
|
114 0.2715357943 1.000000000
|
|
115 0.2984845789 0.7473032623
|
|
116 0.2984847214 0.7472763459
|
|
117 0.3132441137 0.1150567848E-05
|
|
118 0.3132441604 0.1150514089E-05
|
|
119 0.4217601778 0.000000000
|
|
120 0.4217604868 0.000000000
|
|
121 0.4344025763 0.000000000
|
|
122 0.4344026641 0.000000000
|
|
123 0.4800792154 0.000000000
|
|
124 0.4800793012 0.000000000
|
|
125 0.4877966544 0.000000000
|
|
126 0.4877969756 0.000000000
|
|
127 0.4887937446 0.000000000
|
|
128 0.4887938457 0.000000000
|
|
129 0.4934317301 0.000000000
|
|
130 0.4934321035 0.000000000
|
|
131 0.4964835451 0.000000000
|
|
132 0.4964837064 0.000000000
|
|
133 0.5150028480 0.000000000
|
|
134 0.5150031137 0.000000000
|
|
135 0.5262875007 0.000000000
|
|
136 0.5262878507 0.000000000
|
|
137 0.5442862194 0.000000000
|
|
138 0.5442864420 0.000000000
|
|
139 0.5455903801 0.000000000
|
|
140 0.5455907356 0.000000000
|
|
141 0.5582339587 0.000000000
|
|
142 0.5582342610 0.000000000
|
|
143 0.5713444874 0.000000000
|
|
144 0.5713446496 0.000000000
|
|
145 0.5867189384 0.000000000
|
|
146 0.5867193044 0.000000000
|
|
147 0.5908654701 0.000000000
|
|
148 0.5908656089 0.000000000
|
|
149 0.6027685089 0.000000000
|
|
150 0.6027690698 0.000000000
|
|
151 0.6289915757 0.000000000
|
|
152 0.6289917068 0.000000000
|
|
153 0.6693985765 0.000000000
|
|
154 0.6693990574 0.000000000
|
|
155 0.6790723513 0.000000000
|
|
156 0.6790724664 0.000000000
|
|
157 0.6898448187 0.000000000
|
|
158 0.6898451382 0.000000000
|
|
159 0.7082004734 0.000000000
|
|
160 0.7082006704 0.000000000
|
|
161 0.7211313091 0.000000000
|
|
162 0.7211316110 0.000000000
|
|
163 0.7411713843 0.000000000
|
|
164 0.7411717098 0.000000000
|
|
165 0.7464942408 0.000000000
|
|
166 0.7464944007 0.000000000
|
|
167 0.7481753594 0.000000000
|
|
168 0.7481755222 0.000000000
|
|
169 0.7558158331 0.000000000
|
|
170 0.7558160292 0.000000000
|
|
171 0.8127903030 0.000000000
|
|
172 0.8127906277 0.000000000
|
|
173 0.8277800495 0.000000000
|
|
174 0.8277801437 0.000000000
|
|
175 0.8378406917 0.000000000
|
|
176 0.8378408719 0.000000000
|
|
177 0.8560697000 0.000000000
|
|
178 0.8560698318 0.000000000
|
|
179 0.8575375305 0.000000000
|
|
180 0.8575378425 0.000000000
|
|
181 0.9112988973 0.000000000
|
|
182 0.9112990360 0.000000000
|
|
183 0.9180830405 0.000000000
|
|
184 0.9180831271 0.000000000
|
|
185 0.9260454176 0.000000000
|
|
186 0.9260455523 0.000000000
|
|
187 0.9352734076 0.000000000
|
|
188 0.9352735421 0.000000000
|
|
189 0.9464709288 0.000000000
|
|
190 0.9464713294 0.000000000
|
|
191 0.9546682041 0.000000000
|
|
192 0.9546685322 0.000000000
|
|
193 0.9813384289 0.000000000
|
|
194 0.9813390012 0.000000000
|
|
195 0.9903101969 0.000000000
|
|
196 0.9903105221 0.000000000
|
|
197 0.9973080856 0.000000000
|
|
198 0.9973082823 0.000000000
|
|
|
|
|
|
28 0.5000000000 0.5000000000 0.1250000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763351287 1.000000000
|
|
2 -2.763351284 1.000000000
|
|
3 -2.763350331 1.000000000
|
|
4 -2.763350330 1.000000000
|
|
5 -2.763340017 1.000000000
|
|
6 -2.763340017 1.000000000
|
|
7 -2.763337129 1.000000000
|
|
8 -2.763337126 1.000000000
|
|
9 -2.669477512 1.000000000
|
|
10 -2.669477504 1.000000000
|
|
11 -2.669476089 1.000000000
|
|
12 -2.669476087 1.000000000
|
|
13 -2.669470806 1.000000000
|
|
14 -2.669470803 1.000000000
|
|
15 -2.669469268 1.000000000
|
|
16 -2.669469260 1.000000000
|
|
17 -2.669436647 1.000000000
|
|
18 -2.669436644 1.000000000
|
|
19 -2.669435998 1.000000000
|
|
20 -2.669435995 1.000000000
|
|
21 -1.909406652 1.000000000
|
|
22 -1.909406638 1.000000000
|
|
23 -1.909402690 1.000000000
|
|
24 -1.909402670 1.000000000
|
|
25 -1.905808932 1.000000000
|
|
26 -1.905808921 1.000000000
|
|
27 -1.850823794 1.000000000
|
|
28 -1.850823732 1.000000000
|
|
29 -1.795945582 1.000000000
|
|
30 -1.795945554 1.000000000
|
|
31 -1.794092240 1.000000000
|
|
32 -1.794092223 1.000000000
|
|
33 -1.794081731 1.000000000
|
|
34 -1.794081720 1.000000000
|
|
35 -1.790790245 1.000000000
|
|
36 -1.790790221 1.000000000
|
|
37 -1.415269433 1.000000000
|
|
38 -1.415269320 1.000000000
|
|
39 -1.415032081 1.000000000
|
|
40 -1.415031916 1.000000000
|
|
41 -1.189024150 1.000000000
|
|
42 -1.189024148 1.000000000
|
|
43 -0.6651954487 1.000000000
|
|
44 -0.6651954478 1.000000000
|
|
45 -0.6638203668 1.000000000
|
|
46 -0.6638203659 1.000000000
|
|
47 -0.5085888831 1.000000000
|
|
48 -0.5085887962 1.000000000
|
|
49 -0.4656265380 1.000000000
|
|
50 -0.4656263960 1.000000000
|
|
51 -0.4646885773 1.000000000
|
|
52 -0.4646884270 1.000000000
|
|
53 -0.3714273600 1.000000000
|
|
54 -0.3714273002 1.000000000
|
|
55 -0.3503452986 1.000000000
|
|
56 -0.3503451992 1.000000000
|
|
57 -0.3422972390 1.000000000
|
|
58 -0.3422971086 1.000000000
|
|
59 -0.3204737657 1.000000000
|
|
60 -0.3204737247 1.000000000
|
|
61 -0.3108100145 1.000000000
|
|
62 -0.3108099852 1.000000000
|
|
63 -0.3090541739 1.000000000
|
|
64 -0.3090541530 1.000000000
|
|
65 -0.1649423132 1.000000000
|
|
66 -0.1649422034 1.000000000
|
|
67 -0.1632250337 1.000000000
|
|
68 -0.1632249262 1.000000000
|
|
69 -0.9985091061E-01 1.000000000
|
|
70 -0.9985075011E-01 1.000000000
|
|
71 -0.9386356595E-01 1.000000000
|
|
72 -0.9386349424E-01 1.000000000
|
|
73 -0.9261071726E-01 1.000000000
|
|
74 -0.9261060326E-01 1.000000000
|
|
75 -0.9153641061E-01 1.000000000
|
|
76 -0.9153619736E-01 1.000000000
|
|
77 0.5472240013E-01 1.000000000
|
|
78 0.5472268799E-01 1.000000000
|
|
79 0.6087286489E-01 1.000000000
|
|
80 0.6087321826E-01 1.000000000
|
|
81 0.7771510329E-01 1.000000000
|
|
82 0.7771528147E-01 1.000000000
|
|
83 0.8337311508E-01 1.000000000
|
|
84 0.8337342022E-01 1.000000000
|
|
85 0.9822043925E-01 1.000000000
|
|
86 0.9822058570E-01 1.000000000
|
|
87 0.1064589807 1.000000000
|
|
88 0.1064590367 1.000000000
|
|
89 0.1512030160 1.000000000
|
|
90 0.1512030984 1.000000000
|
|
91 0.1621350183 1.000000000
|
|
92 0.1621351143 1.000000000
|
|
93 0.1651168095 1.000000000
|
|
94 0.1651168591 1.000000000
|
|
95 0.1877917807 1.000000000
|
|
96 0.1877918281 1.000000000
|
|
97 0.1968897931 1.000000000
|
|
98 0.1968898806 1.000000000
|
|
99 0.2028023725 1.000000000
|
|
100 0.2028025042 1.000000000
|
|
101 0.2068156533 1.000000000
|
|
102 0.2068157370 1.000000000
|
|
103 0.2083622688 1.000000000
|
|
104 0.2083623207 1.000000000
|
|
105 0.2152277278 1.000000000
|
|
106 0.2152277677 1.000000000
|
|
107 0.2175595023 1.000000000
|
|
108 0.2175595824 1.000000000
|
|
109 0.2193713688 1.000000000
|
|
110 0.2193714417 1.000000000
|
|
111 0.2454275394 1.000000000
|
|
112 0.2454275828 1.000000000
|
|
113 0.2697921080 1.000000000
|
|
114 0.2697923905 1.000000000
|
|
115 0.2997630806 0.4515968825
|
|
116 0.2997632029 0.4515665958
|
|
117 0.3155229111 0.1178266465E-06
|
|
118 0.3155229448 0.1178226834E-06
|
|
119 0.4171256055 0.000000000
|
|
120 0.4171257153 0.000000000
|
|
121 0.4277671776 0.000000000
|
|
122 0.4277675318 0.000000000
|
|
123 0.4910984553 0.000000000
|
|
124 0.4910986266 0.000000000
|
|
125 0.4941769580 0.000000000
|
|
126 0.4941773031 0.000000000
|
|
127 0.4965381639 0.000000000
|
|
128 0.4965382211 0.000000000
|
|
129 0.4981650368 0.000000000
|
|
130 0.4981654120 0.000000000
|
|
131 0.5097715485 0.000000000
|
|
132 0.5097716503 0.000000000
|
|
133 0.5175060003 0.000000000
|
|
134 0.5175063358 0.000000000
|
|
135 0.5207461096 0.000000000
|
|
136 0.5207464197 0.000000000
|
|
137 0.5405961058 0.000000000
|
|
138 0.5405965749 0.000000000
|
|
139 0.5522515313 0.000000000
|
|
140 0.5522516517 0.000000000
|
|
141 0.5723887799 0.000000000
|
|
142 0.5723889790 0.000000000
|
|
143 0.5842223936 0.000000000
|
|
144 0.5842227197 0.000000000
|
|
145 0.5860104728 0.000000000
|
|
146 0.5860108265 0.000000000
|
|
147 0.5990335294 0.000000000
|
|
148 0.5990337785 0.000000000
|
|
149 0.6010595118 0.000000000
|
|
150 0.6010596223 0.000000000
|
|
151 0.6565615700 0.000000000
|
|
152 0.6565616656 0.000000000
|
|
153 0.6645121317 0.000000000
|
|
154 0.6645123644 0.000000000
|
|
155 0.6717686220 0.000000000
|
|
156 0.6717687654 0.000000000
|
|
157 0.6736443510 0.000000000
|
|
158 0.6736444849 0.000000000
|
|
159 0.6854553233 0.000000000
|
|
160 0.6854557062 0.000000000
|
|
161 0.7027512193 0.000000000
|
|
162 0.7027514489 0.000000000
|
|
163 0.7088553255 0.000000000
|
|
164 0.7088554553 0.000000000
|
|
165 0.7367958649 0.000000000
|
|
166 0.7367961188 0.000000000
|
|
167 0.7429193443 0.000000000
|
|
168 0.7429194862 0.000000000
|
|
169 0.7627213054 0.000000000
|
|
170 0.7627213660 0.000000000
|
|
171 0.8134093009 0.000000000
|
|
172 0.8134093625 0.000000000
|
|
173 0.8374801243 0.000000000
|
|
174 0.8374803022 0.000000000
|
|
175 0.8389183572 0.000000000
|
|
176 0.8389186594 0.000000000
|
|
177 0.8489471978 0.000000000
|
|
178 0.8489474568 0.000000000
|
|
179 0.8673809462 0.000000000
|
|
180 0.8673811043 0.000000000
|
|
181 0.8836258423 0.000000000
|
|
182 0.8836260317 0.000000000
|
|
183 0.8930222040 0.000000000
|
|
184 0.8930222821 0.000000000
|
|
185 0.9289796474 0.000000000
|
|
186 0.9289797075 0.000000000
|
|
187 0.9345048428 0.000000000
|
|
188 0.9345051728 0.000000000
|
|
189 0.9551341746 0.000000000
|
|
190 0.9551346630 0.000000000
|
|
191 0.9836465952 0.000000000
|
|
192 0.9836466504 0.000000000
|
|
193 0.9877715622 0.000000000
|
|
194 0.9877722169 0.000000000
|
|
195 0.9974227439 0.000000000
|
|
196 0.9974228937 0.000000000
|
|
197 1.003757418 0.000000000
|
|
198 1.003757512 0.000000000
|
|
|
|
|
|
29 0.5000000000 0.5000000000 0.2500000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.763353145 1.000000000
|
|
2 -2.763353144 1.000000000
|
|
3 -2.763346918 1.000000000
|
|
4 -2.763346916 1.000000000
|
|
5 -2.763340143 1.000000000
|
|
6 -2.763340141 1.000000000
|
|
7 -2.763339774 1.000000000
|
|
8 -2.763339773 1.000000000
|
|
9 -2.669478075 1.000000000
|
|
10 -2.669478072 1.000000000
|
|
11 -2.669476397 1.000000000
|
|
12 -2.669476393 1.000000000
|
|
13 -2.669471384 1.000000000
|
|
14 -2.669471381 1.000000000
|
|
15 -2.669470440 1.000000000
|
|
16 -2.669470437 1.000000000
|
|
17 -2.669436022 1.000000000
|
|
18 -2.669436020 1.000000000
|
|
19 -2.669434233 1.000000000
|
|
20 -2.669434231 1.000000000
|
|
21 -1.909397991 1.000000000
|
|
22 -1.909397978 1.000000000
|
|
23 -1.909394621 1.000000000
|
|
24 -1.909394610 1.000000000
|
|
25 -1.905799163 1.000000000
|
|
26 -1.905799152 1.000000000
|
|
27 -1.850885612 1.000000000
|
|
28 -1.850885549 1.000000000
|
|
29 -1.795937789 1.000000000
|
|
30 -1.795937765 1.000000000
|
|
31 -1.794081221 1.000000000
|
|
32 -1.794081206 1.000000000
|
|
33 -1.794072821 1.000000000
|
|
34 -1.794072807 1.000000000
|
|
35 -1.790779589 1.000000000
|
|
36 -1.790779565 1.000000000
|
|
37 -1.415196083 1.000000000
|
|
38 -1.415196027 1.000000000
|
|
39 -1.415122434 1.000000000
|
|
40 -1.415122329 1.000000000
|
|
41 -1.189023800 1.000000000
|
|
42 -1.189023798 1.000000000
|
|
43 -0.6645142284 1.000000000
|
|
44 -0.6645142278 1.000000000
|
|
45 -0.6645086195 1.000000000
|
|
46 -0.6645086187 1.000000000
|
|
47 -0.5086720189 1.000000000
|
|
48 -0.5086719317 1.000000000
|
|
49 -0.4660386753 1.000000000
|
|
50 -0.4660385709 1.000000000
|
|
51 -0.4647332766 1.000000000
|
|
52 -0.4647331352 1.000000000
|
|
53 -0.3678901219 1.000000000
|
|
54 -0.3678900546 1.000000000
|
|
55 -0.3508214134 1.000000000
|
|
56 -0.3508213270 1.000000000
|
|
57 -0.3366861057 1.000000000
|
|
58 -0.3366860035 1.000000000
|
|
59 -0.3286469078 1.000000000
|
|
60 -0.3286468196 1.000000000
|
|
61 -0.3108014244 1.000000000
|
|
62 -0.3108013935 1.000000000
|
|
63 -0.3099365201 1.000000000
|
|
64 -0.3099364898 1.000000000
|
|
65 -0.1641412210 1.000000000
|
|
66 -0.1641412151 1.000000000
|
|
67 -0.1640088320 1.000000000
|
|
68 -0.1640088241 1.000000000
|
|
69 -0.9710113825E-01 1.000000000
|
|
70 -0.9710107288E-01 1.000000000
|
|
71 -0.9659509954E-01 1.000000000
|
|
72 -0.9659503753E-01 1.000000000
|
|
73 -0.9275099007E-01 1.000000000
|
|
74 -0.9275091503E-01 1.000000000
|
|
75 -0.9180346647E-01 1.000000000
|
|
76 -0.9180339535E-01 1.000000000
|
|
77 0.5472118309E-01 1.000000000
|
|
78 0.5472147407E-01 1.000000000
|
|
79 0.6359737884E-01 1.000000000
|
|
80 0.6359765630E-01 1.000000000
|
|
81 0.8634703072E-01 1.000000000
|
|
82 0.8634714365E-01 1.000000000
|
|
83 0.9281421341E-01 1.000000000
|
|
84 0.9281437046E-01 1.000000000
|
|
85 0.9791816241E-01 1.000000000
|
|
86 0.9791837204E-01 1.000000000
|
|
87 0.1059534690 1.000000000
|
|
88 0.1059535342 1.000000000
|
|
89 0.1365508491 1.000000000
|
|
90 0.1365511243 1.000000000
|
|
91 0.1582856620 1.000000000
|
|
92 0.1582857636 1.000000000
|
|
93 0.1613745811 1.000000000
|
|
94 0.1613746647 1.000000000
|
|
95 0.1959020760 1.000000000
|
|
96 0.1959021542 1.000000000
|
|
97 0.1960553443 1.000000000
|
|
98 0.1960554334 1.000000000
|
|
99 0.1978203863 1.000000000
|
|
100 0.1978204399 1.000000000
|
|
101 0.2076980251 1.000000000
|
|
102 0.2076980578 1.000000000
|
|
103 0.2100373209 1.000000000
|
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