mirror of https://gitlab.com/QEF/q-e.git
98 lines
7.9 KiB
Plaintext
98 lines
7.9 KiB
Plaintext
#z (A) Tot chg (e/A) Avg v_hartree (eV) Avg v_local (eV) Avg v_hart+v_loc (eV)
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-5.00 -0.0000242 -36.1906232 31.6664513 -4.5241719
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-4.90 0.0000326 -35.4366595 31.0067767 -4.4298827
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-4.79 -0.0000198 -34.6826960 30.3470158 -4.3356802
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-4.69 0.0000371 -33.9287325 29.6873381 -4.2413944
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-4.58 -0.0000044 -33.1747695 29.0275820 -4.1471875
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-4.48 0.0000492 -32.4208066 28.3678972 -4.0529094
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-4.38 0.0000254 -31.6668445 27.7081496 -3.9586948
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-4.27 0.0000751 -30.9128830 27.0484545 -3.8644285
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-4.17 0.0000783 -30.1589229 26.3887186 -3.7702044
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-4.06 0.0001291 -29.4049645 25.7290107 -3.6759538
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-3.96 0.0001734 -28.6510085 25.0692883 -3.5817203
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-3.85 0.0002379 -27.8970560 24.4095661 -3.4874900
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-3.75 0.0003433 -27.1431083 23.7498582 -3.3932501
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-3.65 0.0004470 -26.3891673 23.0901213 -3.2990460
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-3.54 0.0006519 -25.6352352 22.4304277 -3.2048075
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-3.44 0.0008522 -24.8813159 21.7706769 -3.1106390
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-3.33 0.0012348 -24.1274137 21.1109962 -3.0164175
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-3.23 0.0016422 -23.3735357 20.4512336 -2.9223021
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-3.12 0.0023436 -22.6196905 19.7915632 -2.8281273
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-3.02 0.0031597 -21.8658914 19.1317918 -2.7340996
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-2.92 0.0044558 -21.1121552 18.4721282 -2.6400270
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-2.81 0.0060829 -20.3585069 17.8123520 -2.5461549
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-2.71 0.0085153 -19.6049796 17.1526908 -2.4522887
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-2.60 0.0116823 -18.8516204 16.4929147 -2.3587058
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-2.50 0.0161789 -18.0984930 15.8332509 -2.2652420
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-2.40 0.0221079 -17.3456854 15.1734799 -2.1722054
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-2.29 0.0302838 -16.5933157 14.5138084 -2.0795072
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-2.19 0.0411787 -15.8415449 13.8540479 -1.9874970
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-2.08 0.0559779 -15.0905891 13.1943632 -1.8962259
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-1.98 0.0757290 -14.3407403 12.5346183 -1.8061220
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-1.88 0.1022048 -13.5923895 11.8749149 -1.7174746
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-1.77 0.1375174 -12.8460598 11.2151907 -1.6308691
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-1.67 0.1848030 -12.1024496 10.5554632 -1.5469864
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-1.56 0.2484054 -11.3624946 9.8957645 -1.4667301
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-1.46 0.3340851 -10.6274528 9.2360076 -1.3914452
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-1.35 0.4497721 -9.8990196 8.5763398 -1.3226798
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-1.25 0.6053649 -9.1794822 7.9165469 -1.2629354
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-1.15 0.8147123 -8.4719188 7.2569165 -1.2150023
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-1.04 1.0946175 -7.7804666 6.5970795 -1.1833872
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-0.94 1.4656471 -7.1106565 5.9374872 -1.1731693
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-0.83 1.9434245 -6.4697988 5.2776410 -1.1921578
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-0.73 2.5304491 -5.8672814 4.6165165 -1.2507649
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-0.62 3.1933142 -5.3145758 3.9400771 -1.3744987
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-0.52 3.8417202 -4.8245548 3.2478405 -1.5767144
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-0.42 4.3126680 -4.4096642 2.5634016 -1.8462627
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-0.31 4.5559455 -4.0790531 1.9374764 -2.1415767
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-0.21 4.7471223 -3.8378174 1.4361307 -2.4016867
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-0.10 4.9915725 -3.6899052 1.1089572 -2.5809479
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0.00 5.1227134 -3.6398135 0.9947388 -2.6450747
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0.10 4.9915922 -3.6898413 1.1089572 -2.5808840
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0.21 4.7471573 -3.8376900 1.4361307 -2.4015593
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0.31 4.5559929 -4.0788628 1.9374764 -2.1413864
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0.42 4.3127356 -4.4094121 2.5634016 -1.8460105
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0.52 3.8418282 -4.8242422 3.2478405 -1.5764017
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0.62 3.1934792 -5.3142047 3.9400771 -1.3741276
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0.73 2.5306709 -5.8668552 4.6165165 -1.2503387
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0.83 1.9436902 -6.4693218 5.2776410 -1.1916808
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0.94 1.4659375 -7.1101339 5.9374872 -1.1726466
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1.04 1.0949127 -7.7799040 6.5970795 -1.1828246
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1.15 0.8149956 -8.4713220 7.2569165 -1.2144055
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1.25 0.6056244 -9.1788568 7.9165469 -1.2623100
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1.35 0.4500013 -9.8983706 8.5763398 -1.3220309
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1.46 0.3342816 -10.6267847 9.2360076 -1.3907772
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1.56 0.2485699 -11.3618114 9.8957645 -1.4660469
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1.67 0.1849378 -12.1017544 10.5554632 -1.5462912
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1.77 0.1376260 -12.8453553 11.2151907 -1.6301646
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1.88 0.1022908 -13.5916778 11.8749149 -1.7167629
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1.98 0.0757962 -14.3400231 12.5346183 -1.8054048
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2.08 0.0560297 -15.0898677 13.1943632 -1.8955045
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2.19 0.0412182 -15.8408204 13.8540479 -1.9867725
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2.29 0.0303138 -16.5925888 14.5138084 -2.0787804
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2.40 0.0221305 -17.3449568 15.1734799 -2.1714768
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2.50 0.0161959 -18.0977630 15.8332509 -2.2645121
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2.60 0.0116950 -18.8508895 16.4929147 -2.3579748
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2.71 0.0085248 -19.6042479 17.1526908 -2.4515571
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2.81 0.0060900 -20.3577747 17.8123520 -2.5454227
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2.92 0.0044612 -21.1114226 18.4721282 -2.6392944
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3.02 0.0031636 -21.8651584 19.1317918 -2.7333667
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3.12 0.0023466 -22.6189573 19.7915632 -2.8273941
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3.23 0.0016444 -23.3728024 20.4512336 -2.9215688
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3.33 0.0012365 -24.1266803 21.1109962 -3.0156840
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3.44 0.0008535 -24.8805824 21.7706769 -3.1099055
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3.54 0.0006528 -25.6345017 22.4304277 -3.2040739
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3.65 0.0004477 -26.3884337 23.0901213 -3.2983124
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3.75 0.0003438 -27.1423747 23.7498582 -3.3925165
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3.85 0.0002383 -27.8963224 24.4095661 -3.4867563
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3.96 0.0001737 -28.6502749 25.0692883 -3.5809866
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4.06 0.0001293 -29.4042308 25.7290107 -3.6752201
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4.17 0.0000785 -30.1581892 26.3887186 -3.7694707
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4.27 0.0000752 -30.9121493 27.0484545 -3.8636948
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4.38 0.0000255 -31.6661108 27.7081496 -3.9579611
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4.48 0.0000492 -32.4200729 28.3678972 -4.0521757
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4.58 -0.0000044 -33.1740358 29.0275820 -4.1464538
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4.69 0.0000371 -33.9279988 29.6873381 -4.2406607
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4.79 -0.0000198 -34.6819623 30.3470158 -4.3349465
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4.90 0.0000326 -35.4359257 31.0067767 -4.4291490
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