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 0.0000044 0.0000000 -0.0014223 -0.0014223
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-5.83 0.0000088 5.4971388 -5.5158842 -0.0187454
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-5.67 0.0000282 10.9942761 -11.0356781 -0.0414020
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-5.50 0.0000681 16.4914088 -16.5508313 -0.0594224
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-5.33 0.0001253 21.9885309 -22.0695328 -0.0810020
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-5.17 0.0002064 27.4856334 -27.5860905 -0.1004571
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-5.00 0.0003353 32.9827037 -33.1031714 -0.1204677
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-4.83 0.0005363 38.4797217 -38.6214200 -0.1416983
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-4.67 0.0008195 43.9766564 -44.1368662 -0.1602097
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-4.50 0.0012094 49.4734642 -49.6565585 -0.1830943
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-4.33 0.0017852 54.9700844 -55.1708754 -0.2007910
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-4.17 0.0026627 60.4664270 -60.6912828 -0.2248558
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-4.00 0.0039426 65.9623565 -66.2053744 -0.2430179
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-3.83 0.0057490 71.4576751 -71.7254815 -0.2678065
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-3.67 0.0083652 76.9521024 -77.2404033 -0.2883010
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-3.50 0.0122653 82.4452313 -82.7591913 -0.3139600
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-3.33 0.0179924 87.9364572 -88.2758498 -0.3393926
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-3.17 0.0261779 93.4248945 -93.7925928 -0.3676983
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-3.00 0.0379147 98.9092751 -99.3114725 -0.4021974
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-2.83 0.0551779 104.3877750 -104.8259683 -0.4381932
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-2.67 0.0808154 109.8577121 -110.3469603 -0.4892483
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-2.50 0.1184638 115.3151111 -115.8596324 -0.5445213
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-2.33 0.1733513 120.7541367 -121.3820102 -0.6278735
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-2.17 0.2539319 126.1662697 -126.8938554 -0.7275856
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-2.00 0.3727456 131.5389997 -132.4163996 -0.8773999
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-1.83 0.5455127 136.8539161 -137.9288043 -1.0748882
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-1.67 0.7903627 142.0843108 -143.4500329 -1.3657221
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-1.50 1.1291916 147.1923797 -148.9645412 -1.7721615
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-1.33 1.5867864 152.1258704 -154.4830515 -2.3571811
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-1.17 2.1776103 156.8144494 -160.0013670 -3.1869176
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-1.00 2.8786286 161.1678478 -165.5185221 -4.3506743
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-0.83 3.6108133 165.0796544 -171.0308932 -5.9512387
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-0.67 4.2632428 168.4391189 -176.4799925 -8.0408736
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-0.50 4.7544324 171.1473209 -182.6350092 -11.4876883
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-0.33 5.0702300 173.1291435 -189.0804096 -15.9512661
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-0.17 5.2403870 174.3357752 -193.6769584 -19.3411832
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0.00 5.2938626 174.7407583 -195.2594735 -20.5187151
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0.17 5.2403870 174.3357752 -193.6769584 -19.3411832
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0.33 5.0702300 173.1291435 -189.0804096 -15.9512661
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0.50 4.7544324 171.1473209 -182.6350092 -11.4876883
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0.67 4.2632428 168.4391189 -176.4799925 -8.0408736
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0.83 3.6108133 165.0796544 -171.0308932 -5.9512387
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1.00 2.8786286 161.1678478 -165.5185221 -4.3506743
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1.17 2.1776103 156.8144494 -160.0013670 -3.1869176
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1.33 1.5867864 152.1258704 -154.4830515 -2.3571811
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1.50 1.1291916 147.1923797 -148.9645412 -1.7721615
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1.67 0.7903627 142.0843108 -143.4500329 -1.3657221
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1.83 0.5455127 136.8539161 -137.9288043 -1.0748882
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2.00 0.3727456 131.5389997 -132.4163996 -0.8773999
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2.17 0.2539319 126.1662697 -126.8938554 -0.7275856
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2.33 0.1733513 120.7541367 -121.3820102 -0.6278735
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2.50 0.1184638 115.3151111 -115.8596324 -0.5445213
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2.67 0.0808154 109.8577121 -110.3469603 -0.4892483
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2.83 0.0551779 104.3877750 -104.8259683 -0.4381932
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3.00 0.0379147 98.9092751 -99.3114725 -0.4021974
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3.17 0.0261779 93.4248945 -93.7925928 -0.3676983
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3.33 0.0179924 87.9364572 -88.2758498 -0.3393926
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3.50 0.0122653 82.4452313 -82.7591913 -0.3139600
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3.67 0.0083652 76.9521024 -77.2404033 -0.2883010
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3.83 0.0057490 71.4576751 -71.7254815 -0.2678065
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4.00 0.0039426 65.9623565 -66.2053744 -0.2430179
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4.17 0.0026627 60.4664270 -60.6912828 -0.2248558
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4.33 0.0017852 54.9700844 -55.1708754 -0.2007910
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4.50 0.0012094 49.4734642 -49.6565585 -0.1830943
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4.67 0.0008195 43.9766564 -44.1368662 -0.1602097
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4.83 0.0005363 38.4797217 -38.6214200 -0.1416983
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5.00 0.0003353 32.9827037 -33.1031714 -0.1204677
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5.17 0.0002064 27.4856334 -27.5860905 -0.1004571
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5.33 0.0001253 21.9885309 -22.0695328 -0.0810020
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5.50 0.0000681 16.4914088 -16.5508313 -0.0594224
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5.67 0.0000282 10.9942761 -11.0356781 -0.0414020
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5.83 0.0000088 5.4971388 -5.5158842 -0.0187454
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