mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 21:03:45 +01:00
453 lines
18 KiB
Plaintext
453 lines
18 KiB
Plaintext
10 : nkpt
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41 : nstsv
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1 0.000000000 0.000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080910719 2.000000000
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2 -1.131688868 2.000000000
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3 -1.131688868 2.000000000
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40 1.114323880 0.000000000
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41 1.114323880 0.000000000
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2 0.2500000000 0.000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080913193 2.000000000
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2 -1.132327830 2.000000000
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3 -1.131627115 2.000000000
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23 0.3212383247 0.9518010834
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24 0.3630289786 0.1287306864E-17
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40 1.073097886 0.000000000
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41 1.117664142 0.000000000
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3 0.5000000000 0.000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080912294 2.000000000
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2 -1.132926000 2.000000000
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3 -1.131564883 2.000000000
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20 0.2112615509 2.000000000
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21 0.2834528906 2.000000000
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22 0.3519041118 0.8732736605E-13
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23 0.3519041118 0.8732736605E-13
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24 0.3633785741 0.9075167915E-18
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25 0.4481704980 0.000000000
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34 0.8782579932 0.000000000
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36 0.9262397892 0.000000000
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37 0.9863709064 0.000000000
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38 1.036659717 0.000000000
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39 1.044273941 0.000000000
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40 1.044273941 0.000000000
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41 1.063670948 0.000000000
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4 0.2500000000 0.2500000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080910305 2.000000000
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2 -1.132253334 2.000000000
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3 -1.132203942 2.000000000
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4 -1.131564292 2.000000000
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5 -0.9429128350 2.000000000
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6 -0.3974642421 2.000000000
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7 -0.3620613011 2.000000000
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8 -0.3528792985 2.000000000
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9 -0.2816629848 2.000000000
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10 -0.2755380936 2.000000000
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11 -0.2700258631 2.000000000
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12 0.8547828315E-01 2.000000000
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13 0.1039516055 2.000000000
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14 0.1197230548 2.000000000
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15 0.1233892019 2.000000000
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16 0.1533643763 2.000000000
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17 0.1753953421 2.000000000
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18 0.1902845589 2.000000000
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19 0.1940737286 2.000000000
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20 0.2141345371 2.000000000
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21 0.3192041969 1.748188638
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22 0.3242569532 0.8497725960E-01
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23 0.3326622012 0.1985188022E-04
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24 0.3876946347 0.000000000
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25 0.4473600939 0.000000000
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26 0.5410462795 0.000000000
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27 0.5568988187 0.000000000
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28 0.5594024471 0.000000000
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29 0.6584119709 0.000000000
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30 0.6720929653 0.000000000
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31 0.6729354314 0.000000000
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32 0.7948725946 0.000000000
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37 1.007375063 0.000000000
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38 1.029511860 0.000000000
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39 1.074335499 0.000000000
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40 1.076877573 0.000000000
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41 1.128715119 0.000000000
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5 0.5000000000 0.2500000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080915142 2.000000000
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2 -1.132870627 2.000000000
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3 -1.132197689 2.000000000
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4 -1.131556232 2.000000000
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12 0.6526613080E-01 2.000000000
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14 0.9994023735E-01 2.000000000
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20 0.2170412769 2.000000000
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21 0.3221154164 0.5483412429
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22 0.3512664743 0.1652238713E-12
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23 0.3540552435 0.1016074895E-13
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24 0.3921830392 0.000000000
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25 0.4807900649 0.000000000
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28 0.6229834244 0.000000000
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30 0.6890583665 0.000000000
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31 0.6988887480 0.000000000
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32 0.7600570316 0.000000000
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39 1.034862996 0.000000000
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40 1.123680910 0.000000000
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41 1.128338774 0.000000000
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6 0.5000000000 0.5000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080919469 2.000000000
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2 -1.132821084 2.000000000
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3 -1.132821084 2.000000000
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20 0.2395130028 2.000000000
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21 0.3509860321 0.2187093208E-12
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23 0.3642441290 0.3818993808E-18
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24 0.4008409013 0.000000000
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40 1.131319957 0.000000000
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41 1.131319957 0.000000000
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7 0.2500000000 0.2500000000 0.2500000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080913977 2.000000000
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2 -1.132241568 2.000000000
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3 -1.132172611 2.000000000
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21 0.3336490597 0.7399751594E-05
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41 1.080994750 0.000000000
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8 0.5000000000 0.2500000000 0.2500000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080917843 2.000000000
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2 -1.132810191 2.000000000
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3 -1.132178689 2.000000000
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21 0.3392602725 0.2705826722E-07
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22 0.3563641887 0.1009633014E-14
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23 0.3578146532 0.2367199304E-15
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40 1.021550943 0.000000000
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41 1.047281587 0.000000000
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|
|
|
|
9 0.5000000000 0.5000000000 0.2500000000 : k-point, vkl
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|
(state, eigenvalue and occupancy below)
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|
1 -2.080921208 2.000000000
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2 -1.132758919 2.000000000
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12 0.5632350433E-01 2.000000000
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21 0.3601440638 0.2304542215E-16
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23 0.3681877804 0.7400190992E-20
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24 0.4633895546 0.000000000
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40 1.057340734 0.000000000
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41 1.057340734 0.000000000
|
|
|
|
|
|
10 0.5000000000 0.5000000000 0.5000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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1 -2.080926396 2.000000000
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2 -1.132723022 2.000000000
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3 -1.132723022 2.000000000
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4 -1.132723022 2.000000000
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7 -0.3473222676 2.000000000
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8 -0.3473222676 2.000000000
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