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 0.0000045 0.0000000 -0.0014223 -0.0014223
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-5.83 0.0000089 5.4970955 -5.5158842 -0.0187887
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-5.67 0.0000284 10.9941894 -11.0356781 -0.0414887
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-5.50 0.0000684 16.4912787 -16.5508313 -0.0595525
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-5.33 0.0001258 21.9883573 -22.0695328 -0.0811755
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-5.17 0.0002070 27.4854164 -27.5860905 -0.1006741
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-5.00 0.0003361 32.9824431 -33.1031714 -0.1207284
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-4.83 0.0005372 38.4794173 -38.6214200 -0.1420027
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-4.67 0.0008205 43.9763082 -44.1368662 -0.1605580
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-4.50 0.0012103 49.4730720 -49.6565585 -0.1834865
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-4.33 0.0017859 54.9696480 -55.1708754 -0.2012274
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-4.17 0.0026631 60.4659464 -60.6912828 -0.2253364
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-4.00 0.0039427 65.9618316 -66.2053744 -0.2435428
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-3.83 0.0057487 71.4571058 -71.7254815 -0.2683757
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-3.67 0.0083648 76.9514889 -77.2404033 -0.2889144
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-3.50 0.0122657 82.4445736 -82.7591913 -0.3146177
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-3.33 0.0179951 87.9357552 -88.2758498 -0.3400946
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-3.17 0.0261842 93.4241478 -93.7925928 -0.3684450
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-3.00 0.0379254 98.9084827 -99.3114725 -0.4029898
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-2.83 0.0551933 104.3869353 -104.8259683 -0.4390330
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-2.67 0.0808359 109.8568226 -110.3469603 -0.4901377
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-2.50 0.1184898 115.3141688 -115.8596324 -0.5454636
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-2.33 0.1733809 120.7531375 -121.3820102 -0.6288727
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-2.17 0.2539587 126.1652093 -126.8938554 -0.7286461
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-2.00 0.3727563 131.5378740 -132.4163996 -0.8785256
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-1.83 0.5454858 136.8527238 -137.9288043 -1.0760805
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-1.67 0.7902712 142.0830564 -143.4500329 -1.3669765
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-1.50 1.1290131 147.1910775 -148.9645412 -1.7734637
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-1.33 1.5865174 152.1245478 -154.4830515 -2.3585037
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-1.17 2.1772775 156.8131472 -160.0013670 -3.1882198
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-1.00 2.8782895 161.1666164 -165.5185221 -4.3519057
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-0.83 3.6105448 165.0785447 -171.0308932 -5.9523484
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-0.67 4.2631246 168.4381710 -176.4799925 -8.0418215
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-0.50 4.7545257 171.1465521 -182.6350092 -11.4884570
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-0.33 5.0705493 173.1285394 -189.0804096 -15.9518702
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-0.17 5.2408812 174.3352875 -193.6769584 -19.3416709
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0.00 5.2944224 174.7403127 -195.2594735 -20.5191608
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0.17 5.2408812 174.3352875 -193.6769584 -19.3416709
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0.33 5.0705493 173.1285394 -189.0804096 -15.9518702
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0.50 4.7545257 171.1465521 -182.6350092 -11.4884570
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0.67 4.2631246 168.4381710 -176.4799925 -8.0418215
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0.83 3.6105448 165.0785447 -171.0308932 -5.9523484
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1.00 2.8782895 161.1666164 -165.5185221 -4.3519057
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1.17 2.1772775 156.8131472 -160.0013670 -3.1882198
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1.33 1.5865174 152.1245478 -154.4830515 -2.3585037
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1.50 1.1290131 147.1910775 -148.9645412 -1.7734637
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1.67 0.7902712 142.0830564 -143.4500329 -1.3669765
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1.83 0.5454858 136.8527238 -137.9288043 -1.0760805
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2.00 0.3727563 131.5378740 -132.4163996 -0.8785256
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2.17 0.2539587 126.1652093 -126.8938554 -0.7286461
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2.33 0.1733809 120.7531375 -121.3820102 -0.6288727
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2.50 0.1184898 115.3141688 -115.8596324 -0.5454636
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2.67 0.0808359 109.8568226 -110.3469603 -0.4901377
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2.83 0.0551933 104.3869353 -104.8259683 -0.4390330
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3.00 0.0379254 98.9084827 -99.3114725 -0.4029898
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3.17 0.0261842 93.4241478 -93.7925928 -0.3684450
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3.33 0.0179951 87.9357552 -88.2758498 -0.3400946
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3.50 0.0122657 82.4445736 -82.7591913 -0.3146177
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3.67 0.0083648 76.9514889 -77.2404033 -0.2889144
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3.83 0.0057487 71.4571058 -71.7254815 -0.2683757
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4.00 0.0039427 65.9618316 -66.2053744 -0.2435428
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4.17 0.0026631 60.4659464 -60.6912828 -0.2253364
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4.33 0.0017859 54.9696480 -55.1708754 -0.2012274
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4.50 0.0012103 49.4730720 -49.6565585 -0.1834865
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4.67 0.0008205 43.9763082 -44.1368662 -0.1605580
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4.83 0.0005372 38.4794173 -38.6214200 -0.1420027
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5.00 0.0003361 32.9824431 -33.1031714 -0.1207284
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5.17 0.0002070 27.4854164 -27.5860905 -0.1006741
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5.33 0.0001258 21.9883573 -22.0695328 -0.0811755
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5.50 0.0000684 16.4912787 -16.5508313 -0.0595525
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5.67 0.0000284 10.9941894 -11.0356781 -0.0414887
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5.83 0.0000089 5.4970955 -5.5158842 -0.0187887
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