mirror of https://gitlab.com/QEF/q-e.git
74 lines
5.9 KiB
Plaintext
74 lines
5.9 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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-6.00 0.0000048 0.0000000 -0.0014223 -0.0014223
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-5.83 0.0000106 5.5174286 -5.5158842 0.0015444
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-5.67 0.0000351 11.0348553 -11.0356781 -0.0008228
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-5.50 0.0000841 16.5522763 -16.5508313 0.0014451
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-5.33 0.0001545 22.0696842 -22.0695328 0.0001513
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-5.17 0.0002534 27.5870680 -27.5860905 0.0009775
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-5.00 0.0004076 33.1044123 -33.1031714 0.0012409
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-4.83 0.0006436 38.6216931 -38.6214200 0.0002731
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-4.67 0.0009721 44.1388740 -44.1368662 0.0020078
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-4.50 0.0014196 49.6559045 -49.6565585 -0.0006540
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-4.33 0.0020720 55.1727149 -55.1708754 0.0018395
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-4.17 0.0030528 60.6892035 -60.6912828 -0.0020794
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-4.00 0.0044673 66.2052186 -66.2053744 -0.0001558
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-3.83 0.0064443 71.7205421 -71.7254815 -0.0049394
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-3.67 0.0092782 77.2348671 -77.2404033 -0.0055362
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-3.50 0.0134565 82.7477531 -82.7591913 -0.0114382
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-3.33 0.0195297 88.2585525 -88.2758498 -0.0172973
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-3.17 0.0281351 93.7663269 -93.7925928 -0.0262659
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-3.00 0.0403889 99.2697434 -99.3114725 -0.0417291
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-2.83 0.0583075 104.7668982 -104.8259683 -0.0590701
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-2.67 0.0847753 110.2550083 -110.3469603 -0.0919520
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-2.50 0.1234425 115.7299710 -115.8596324 -0.1296613
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-2.33 0.1795389 121.1857949 -121.3820102 -0.1962153
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-2.17 0.2615173 126.6137755 -126.8938554 -0.2800799
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-2.00 0.3818776 132.0011885 -132.4163996 -0.4152111
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-1.83 0.5562131 137.3293881 -137.9288043 -0.5994162
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-1.67 0.8024580 142.5714283 -143.4500329 -0.8786046
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-1.50 1.1423134 147.6892938 -148.9645412 -1.2752474
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-1.33 1.6003813 152.6305770 -154.4830515 -1.8524745
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-1.17 2.1908875 157.3248751 -160.0013670 -2.6764919
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-1.00 2.8905393 161.6819713 -165.5185221 -3.8365507
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-0.83 3.6202349 165.5956650 -171.0308932 -5.4352282
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-0.67 4.2693322 168.9555835 -176.4799925 -7.5244090
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-0.50 4.7569015 171.6633100 -182.6350092 -10.9716992
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-0.33 5.0694292 173.6442742 -189.0804096 -15.4361354
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-0.17 5.2372823 174.8501579 -193.6769584 -18.8268005
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0.00 5.2899215 175.2548498 -195.2594735 -20.0046236
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0.17 5.2372823 174.8501579 -193.6769584 -18.8268005
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0.33 5.0694292 173.6442742 -189.0804096 -15.4361354
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0.50 4.7569015 171.6633100 -182.6350092 -10.9716992
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0.67 4.2693322 168.9555835 -176.4799925 -7.5244090
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0.83 3.6202349 165.5956650 -171.0308932 -5.4352282
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1.00 2.8905393 161.6819713 -165.5185221 -3.8365507
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1.17 2.1908875 157.3248751 -160.0013670 -2.6764919
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1.33 1.6003813 152.6305770 -154.4830515 -1.8524745
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1.50 1.1423134 147.6892938 -148.9645412 -1.2752474
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1.67 0.8024580 142.5714283 -143.4500329 -0.8786046
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1.83 0.5562131 137.3293881 -137.9288043 -0.5994162
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2.00 0.3818776 132.0011885 -132.4163996 -0.4152111
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2.17 0.2615173 126.6137755 -126.8938554 -0.2800799
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2.33 0.1795389 121.1857949 -121.3820102 -0.1962153
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2.50 0.1234425 115.7299710 -115.8596324 -0.1296613
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2.67 0.0847753 110.2550083 -110.3469603 -0.0919520
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2.83 0.0583075 104.7668982 -104.8259683 -0.0590701
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3.00 0.0403889 99.2697434 -99.3114725 -0.0417291
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3.17 0.0281351 93.7663269 -93.7925928 -0.0262659
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3.33 0.0195297 88.2585525 -88.2758498 -0.0172973
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3.50 0.0134565 82.7477531 -82.7591913 -0.0114382
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3.67 0.0092782 77.2348671 -77.2404033 -0.0055362
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3.83 0.0064443 71.7205421 -71.7254815 -0.0049394
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4.00 0.0044673 66.2052186 -66.2053744 -0.0001558
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4.17 0.0030528 60.6892035 -60.6912828 -0.0020794
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4.33 0.0020720 55.1727149 -55.1708754 0.0018395
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4.50 0.0014196 49.6559045 -49.6565585 -0.0006540
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4.67 0.0009721 44.1388740 -44.1368662 0.0020078
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4.83 0.0006436 38.6216931 -38.6214200 0.0002731
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5.00 0.0004076 33.1044123 -33.1031714 0.0012409
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5.17 0.0002534 27.5870680 -27.5860905 0.0009775
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5.33 0.0001545 22.0696842 -22.0695328 0.0001513
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5.50 0.0000841 16.5522763 -16.5508313 0.0014451
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5.67 0.0000351 11.0348553 -11.0356781 -0.0008228
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5.83 0.0000106 5.5174286 -5.5158842 0.0015444
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