mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 12:03:50 +01:00
453 lines
18 KiB
Plaintext
453 lines
18 KiB
Plaintext
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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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4 -1.131688868 2.000000000
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5 -0.9440722281 2.000000000
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6 -0.4008874810 2.000000000
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7 -0.3552838641 2.000000000
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8 -0.3552838641 2.000000000
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9 -0.2841899184 2.000000000
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10 -0.2841899184 2.000000000
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11 -0.2841899184 2.000000000
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12 0.1240403570 2.000000000
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13 0.1240403570 2.000000000
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14 0.1240403570 2.000000000
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15 0.1963433344 2.000000000
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16 0.1963433344 2.000000000
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17 0.1963433344 2.000000000
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18 0.2274643503 2.000000000
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19 0.2274643503 2.000000000
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20 0.2274643503 2.000000000
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21 0.2787404948 2.000000000
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22 0.2787404948 2.000000000
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23 0.2787404948 2.000000000
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24 0.3627396356 0.1719262367E-17
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25 0.3627396356 0.1719262367E-17
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26 0.4679669876 0.000000000
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27 0.4679669876 0.000000000
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28 0.4816901801 0.000000000
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29 0.6363316249 0.000000000
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30 0.6363316249 0.000000000
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31 0.6363316249 0.000000000
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32 0.7997526405 0.000000000
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33 0.8808335095 0.000000000
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34 0.8808335095 0.000000000
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35 0.8808335095 0.000000000
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36 1.065261897 0.000000000
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37 1.106455928 0.000000000
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38 1.106455928 0.000000000
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39 1.106455928 0.000000000
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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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4 -1.131627115 2.000000000
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5 -0.9434460805 2.000000000
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6 -0.4030965189 2.000000000
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7 -0.3558073194 2.000000000
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8 -0.3545831852 2.000000000
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9 -0.2829724423 2.000000000
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10 -0.2829724423 2.000000000
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11 -0.2705119332 2.000000000
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12 0.9560796544E-01 2.000000000
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13 0.1228952839 2.000000000
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14 0.1228952839 2.000000000
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15 0.1683146037 2.000000000
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16 0.1683146037 2.000000000
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17 0.1775868429 2.000000000
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18 0.1784449782 2.000000000
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19 0.2167722434 2.000000000
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20 0.2167722434 2.000000000
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21 0.2810750475 2.000000000
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22 0.3212383247 0.9518010834
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23 0.3212383247 0.9518010834
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24 0.3630289786 0.1287306864E-17
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25 0.4141859733 0.000000000
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26 0.5095225831 0.000000000
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27 0.5111532545 0.000000000
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28 0.5351317989 0.000000000
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29 0.6323948955 0.000000000
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30 0.6642391006 0.000000000
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31 0.6642391006 0.000000000
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32 0.7959842788 0.000000000
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33 0.8780219214 0.000000000
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34 0.8780219214 0.000000000
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35 0.8898914875 0.000000000
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36 0.9650596386 0.000000000
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37 1.041840477 0.000000000
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38 1.050392091 0.000000000
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39 1.073097886 0.000000000
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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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4 -1.131564883 2.000000000
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5 -0.9428157584 2.000000000
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6 -0.4084852674 2.000000000
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7 -0.3538266767 2.000000000
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8 -0.3494064835 2.000000000
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9 -0.2817319657 2.000000000
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10 -0.2817319657 2.000000000
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11 -0.2598027528 2.000000000
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12 0.6746678864E-01 2.000000000
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13 0.1234010884 2.000000000
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14 0.1234010884 2.000000000
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15 0.1468283741 2.000000000
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16 0.1474941442 2.000000000
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17 0.1474941442 2.000000000
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18 0.1641425238 2.000000000
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19 0.2112615509 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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26 0.5555294131 0.000000000
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27 0.5580645177 0.000000000
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28 0.6281608880 0.000000000
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29 0.6332808152 0.000000000
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30 0.6924728482 0.000000000
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31 0.6924728482 0.000000000
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32 0.7832086939 0.000000000
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33 0.7952333683 0.000000000
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34 0.8782579932 0.000000000
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35 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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33 0.8323960461 0.000000000
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34 0.8621206515 0.000000000
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35 0.8968767900 0.000000000
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36 0.9026311112 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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5 -0.9423759464 2.000000000
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6 -0.3957985951 2.000000000
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7 -0.3591886159 2.000000000
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8 -0.3541237898 2.000000000
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9 -0.2803411887 2.000000000
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10 -0.2742745845 2.000000000
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11 -0.2649434107 2.000000000
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12 0.6526613080E-01 2.000000000
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13 0.8555139360E-01 2.000000000
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14 0.9994023735E-01 2.000000000
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15 0.1245618184 2.000000000
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16 0.1367849583 2.000000000
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17 0.1699818356 2.000000000
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18 0.1826235006 2.000000000
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19 0.1855674022 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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26 0.5824822150 0.000000000
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27 0.6006494969 0.000000000
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28 0.6229834244 0.000000000
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29 0.6657915676 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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33 0.7996674572 0.000000000
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34 0.8243421355 0.000000000
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35 0.8498168438 0.000000000
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36 0.8644313429 0.000000000
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37 0.9690404302 0.000000000
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38 0.9869111018 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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4 -1.131556349 2.000000000
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5 -0.9419324868 2.000000000
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6 -0.3708454421 2.000000000
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7 -0.3675374713 2.000000000
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8 -0.3675374713 2.000000000
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9 -0.2789251686 2.000000000
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10 -0.2680364299 2.000000000
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11 -0.2680364299 2.000000000
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12 0.5665044952E-01 2.000000000
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13 0.5993672713E-01 2.000000000
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14 0.7465522869E-01 2.000000000
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15 0.1269678634 2.000000000
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16 0.1269678634 2.000000000
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17 0.1634606661 2.000000000
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18 0.1830616586 2.000000000
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19 0.1830616586 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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22 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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25 0.5180680382 0.000000000
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26 0.6064481132 0.000000000
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27 0.6159910731 0.000000000
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28 0.6990396042 0.000000000
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29 0.6990396042 0.000000000
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30 0.7103343649 0.000000000
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31 0.7103343649 0.000000000
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32 0.7116369197 0.000000000
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33 0.7967413206 0.000000000
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34 0.8017159443 0.000000000
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35 0.8017159443 0.000000000
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36 0.8135759123 0.000000000
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37 0.8435846616 0.000000000
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38 0.9580135282 0.000000000
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39 1.078257119 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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4 -1.132172611 2.000000000
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5 -0.9424245661 2.000000000
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6 -0.3896839023 2.000000000
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7 -0.3569612248 2.000000000
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8 -0.3569612248 2.000000000
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9 -0.2818665975 2.000000000
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10 -0.2818665975 2.000000000
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11 -0.2671909185 2.000000000
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12 0.7777182416E-01 2.000000000
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13 0.1043736461 2.000000000
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14 0.1043736461 2.000000000
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15 0.1248592859 2.000000000
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16 0.1248592859 2.000000000
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17 0.1271180018 2.000000000
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18 0.2063953518 2.000000000
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19 0.2063953518 2.000000000
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20 0.2182014310 2.000000000
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21 0.3336490597 0.7399751594E-05
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22 0.3371547058 0.2221958444E-06
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23 0.3371547058 0.2221958444E-06
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24 0.4466894689 0.000000000
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25 0.4466894689 0.000000000
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26 0.5645507189 0.000000000
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27 0.5734253550 0.000000000
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28 0.5734253550 0.000000000
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29 0.6611231279 0.000000000
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30 0.6611231279 0.000000000
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31 0.6990740794 0.000000000
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32 0.7649259038 0.000000000
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33 0.8586074180 0.000000000
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34 0.8599856377 0.000000000
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35 0.8599856377 0.000000000
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36 0.9036846530 0.000000000
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37 1.014152150 0.000000000
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38 1.014152150 0.000000000
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39 1.058268396 0.000000000
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40 1.080994750 0.000000000
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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
|
||
|
|
2 -1.132810191 2.000000000
|
||
|
|
3 -1.132178689 2.000000000
|
||
|
|
4 -1.132133756 2.000000000
|
||
|
|
5 -0.9419326068 2.000000000
|
||
|
|
6 -0.3836090418 2.000000000
|
||
|
|
7 -0.3586874609 2.000000000
|
||
|
|
8 -0.3507955564 2.000000000
|
||
|
|
9 -0.2892621023 2.000000000
|
||
|
|
10 -0.2733714081 2.000000000
|
||
|
|
11 -0.2729057127 2.000000000
|
||
|
|
12 0.6418300003E-01 2.000000000
|
||
|
|
13 0.8759567475E-01 2.000000000
|
||
|
|
14 0.9829632479E-01 2.000000000
|
||
|
|
15 0.1062288532 2.000000000
|
||
|
|
16 0.1087052035 2.000000000
|
||
|
|
17 0.1320017692 2.000000000
|
||
|
|
18 0.2052277811 2.000000000
|
||
|
|
19 0.2110865712 2.000000000
|
||
|
|
20 0.2216363259 2.000000000
|
||
|
|
21 0.3392602725 0.2705826722E-07
|
||
|
|
22 0.3563641887 0.1009633014E-14
|
||
|
|
23 0.3578146532 0.2367199304E-15
|
||
|
|
24 0.4454329801 0.000000000
|
||
|
|
25 0.4886828614 0.000000000
|
||
|
|
26 0.5891619039 0.000000000
|
||
|
|
27 0.6102869678 0.000000000
|
||
|
|
28 0.6180362420 0.000000000
|
||
|
|
29 0.6198659280 0.000000000
|
||
|
|
30 0.6847871477 0.000000000
|
||
|
|
31 0.7249610769 0.000000000
|
||
|
|
32 0.7388741743 0.000000000
|
||
|
|
33 0.8161765665 0.000000000
|
||
|
|
34 0.8171066677 0.000000000
|
||
|
|
35 0.8708867936 0.000000000
|
||
|
|
36 0.8867366925 0.000000000
|
||
|
|
37 1.002008651 0.000000000
|
||
|
|
38 1.012283144 0.000000000
|
||
|
|
39 1.019094714 0.000000000
|
||
|
|
40 1.021550943 0.000000000
|
||
|
|
41 1.047281587 0.000000000
|
||
|
|
|
||
|
|
|
||
|
|
9 0.5000000000 0.5000000000 0.2500000000 : k-point, vkl
|
||
|
|
(state, eigenvalue and occupancy below)
|
||
|
|
1 -2.080921208 2.000000000
|
||
|
|
2 -1.132758919 2.000000000
|
||
|
|
3 -1.132758919 2.000000000
|
||
|
|
4 -1.132120892 2.000000000
|
||
|
|
5 -0.9414857882 2.000000000
|
||
|
|
6 -0.3596463816 2.000000000
|
||
|
|
7 -0.3591916695 2.000000000
|
||
|
|
8 -0.3591916695 2.000000000
|
||
|
|
9 -0.2880719366 2.000000000
|
||
|
|
10 -0.2806057944 2.000000000
|
||
|
|
11 -0.2806057944 2.000000000
|
||
|
|
12 0.5632350433E-01 2.000000000
|
||
|
|
13 0.7486414205E-01 2.000000000
|
||
|
|
14 0.7925223839E-01 2.000000000
|
||
|
|
15 0.1088394444 2.000000000
|
||
|
|
16 0.1088394444 2.000000000
|
||
|
|
17 0.1098299671 2.000000000
|
||
|
|
18 0.2164711067 2.000000000
|
||
|
|
19 0.2164711067 2.000000000
|
||
|
|
20 0.2410400548 2.000000000
|
||
|
|
21 0.3601440638 0.2304542215E-16
|
||
|
|
22 0.3601440638 0.2304542215E-16
|
||
|
|
23 0.3681877804 0.7400190992E-20
|
||
|
|
24 0.4633895546 0.000000000
|
||
|
|
25 0.5180560838 0.000000000
|
||
|
|
26 0.5766243705 0.000000000
|
||
|
|
27 0.6015462210 0.000000000
|
||
|
|
28 0.6015462210 0.000000000
|
||
|
|
29 0.6440257883 0.000000000
|
||
|
|
30 0.6771775015 0.000000000
|
||
|
|
31 0.7573218888 0.000000000
|
||
|
|
32 0.7573218888 0.000000000
|
||
|
|
33 0.7888483171 0.000000000
|
||
|
|
34 0.8361695632 0.000000000
|
||
|
|
35 0.8661467170 0.000000000
|
||
|
|
36 0.8941930696 0.000000000
|
||
|
|
37 0.8941930696 0.000000000
|
||
|
|
38 0.9781855322 0.000000000
|
||
|
|
39 1.024091390 0.000000000
|
||
|
|
40 1.057340734 0.000000000
|
||
|
|
41 1.057340734 0.000000000
|
||
|
|
|
||
|
|
|
||
|
|
10 0.5000000000 0.5000000000 0.5000000000 : k-point, vkl
|
||
|
|
(state, eigenvalue and occupancy below)
|
||
|
|
1 -2.080926396 2.000000000
|
||
|
|
2 -1.132723022 2.000000000
|
||
|
|
3 -1.132723022 2.000000000
|
||
|
|
4 -1.132723022 2.000000000
|
||
|
|
5 -0.9410358021 2.000000000
|
||
|
|
6 -0.3473222676 2.000000000
|
||
|
|
7 -0.3473222676 2.000000000
|
||
|
|
8 -0.3473222676 2.000000000
|
||
|
|
9 -0.2965701321 2.000000000
|
||
|
|
10 -0.2965701321 2.000000000
|
||
|
|
11 -0.2965701321 2.000000000
|
||
|
|
12 0.4839222808E-01 2.000000000
|
||
|
|
13 0.7509750358E-01 2.000000000
|
||
|
|
14 0.7509750358E-01 2.000000000
|
||
|
|
15 0.9821261830E-01 2.000000000
|
||
|
|
16 0.9821261830E-01 2.000000000
|
||
|
|
17 0.9821261830E-01 2.000000000
|
||
|
|
18 0.2427208550 2.000000000
|
||
|
|
19 0.2427208550 2.000000000
|
||
|
|
20 0.2427208550 2.000000000
|
||
|
|
21 0.3724696265 0.000000000
|
||
|
|
22 0.3724696265 0.000000000
|
||
|
|
23 0.3724696265 0.000000000
|
||
|
|
24 0.5181679961 0.000000000
|
||
|
|
25 0.5181679961 0.000000000
|
||
|
|
26 0.5489633359 0.000000000
|
||
|
|
27 0.5489633359 0.000000000
|
||
|
|
28 0.5489633359 0.000000000
|
||
|
|
29 0.6285960800 0.000000000
|
||
|
|
30 0.7678537640 0.000000000
|
||
|
|
31 0.7678537640 0.000000000
|
||
|
|
32 0.7814962950 0.000000000
|
||
|
|
33 0.7814962950 0.000000000
|
||
|
|
34 0.7814962950 0.000000000
|
||
|
|
35 0.8648320259 0.000000000
|
||
|
|
36 0.9932576734 0.000000000
|
||
|
|
37 0.9932576734 0.000000000
|
||
|
|
38 0.9932576734 0.000000000
|
||
|
|
39 1.011396116 0.000000000
|
||
|
|
40 1.011396116 0.000000000
|
||
|
|
41 1.011396116 0.000000000
|
||
|
|
|