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 0.0000060 0.0000000 0.5914180 0.5914180
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-5.83 0.0000060 5.5136164 -4.9312778 0.5823386
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-5.67 0.0000231 11.0272317 -10.4593056 0.5679261
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-5.50 0.0000631 16.5408431 -15.9826926 0.5581505
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-5.33 0.0001229 22.0544447 -21.5096281 0.5448166
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-5.17 0.0002085 27.5680270 -27.0344197 0.5336074
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-5.00 0.0003444 33.0815768 -32.5597345 0.5218423
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-4.83 0.0005557 38.5950728 -38.0862169 0.5088559
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-4.67 0.0008530 44.1084826 -43.6098970 0.4985856
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-4.50 0.0012612 49.6217602 -49.1378233 0.4839370
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-4.33 0.0018615 55.1348422 -54.6603740 0.4744681
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-4.17 0.0027725 60.6476348 -60.1890154 0.4586195
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-4.00 0.0040965 66.1599973 -65.7113408 0.4486565
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-3.83 0.0059594 71.6717252 -71.2396819 0.4320434
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-3.67 0.0086485 77.1825294 -76.7628375 0.4196918
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-3.50 0.0126438 82.6919914 -82.2898594 0.4021320
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-3.33 0.0184930 88.1994921 -87.8147518 0.3847403
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-3.17 0.0268307 93.7041271 -93.3397286 0.3643984
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-3.00 0.0387594 99.2046048 -98.8668422 0.3377626
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-2.83 0.0562721 104.6990717 -104.3895720 0.3094998
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-2.67 0.0822368 110.1848070 -109.9187979 0.2660091
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-2.50 0.1203039 115.6577853 -115.4397038 0.2180815
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-2.33 0.1757137 121.1121068 -120.9703156 0.1417912
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-2.17 0.2569390 126.5391721 -126.4903946 0.0487775
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-2.00 0.3765303 131.9263718 -132.0211727 -0.0948009
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-1.83 0.5501785 137.2551765 -137.5418114 -0.2866349
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-1.67 0.7959357 142.4987441 -143.0712738 -0.5725298
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-1.50 1.1355954 147.6191328 -148.5940160 -0.9748832
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-1.33 1.5938126 152.5639644 -154.1207602 -1.5567959
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-1.17 2.1848359 157.2628128 -159.6473096 -2.3844968
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-1.00 2.8853418 161.6253824 -165.1726986 -3.5473161
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-0.83 3.6161005 165.5453433 -170.6933036 -5.1479603
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-0.67 4.2662441 168.9121629 -176.1506368 -7.2384739
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-0.50 4.7545943 171.6272671 -182.3138874 -10.6866202
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-0.33 5.0674816 173.6159682 -188.7675216 -15.1515535
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-0.17 5.2353078 174.8298923 -193.3723043 -18.5424120
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0.00 5.2878114 175.2429289 -194.9630533 -19.7201244
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0.17 5.2353734 174.8469005 -193.3887721 -18.5418716
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0.33 5.0684048 173.6499640 -188.8004572 -15.1504932
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0.50 4.7574565 171.6780949 -182.3632907 -10.6851958
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0.67 4.2718781 168.9793732 -176.2165079 -7.2371347
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0.83 3.6248028 165.6280689 -170.7756425 -5.1475736
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1.00 2.8968149 161.7222934 -165.2715053 -3.5492119
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1.17 2.1983133 157.3721609 -159.7625841 -2.3904233
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1.33 1.6083161 152.6836967 -154.2525025 -1.5688059
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1.50 1.1501889 147.7470386 -148.7422261 -0.9951875
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1.67 0.8098522 142.6325967 -143.2359517 -0.6033550
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1.83 0.5628535 137.3928502 -137.7229570 -0.3301068
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2.00 0.3876313 132.0659285 -132.2187861 -0.1528576
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2.17 0.2663761 126.6789116 -126.7044758 -0.0255643
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2.33 0.1835765 121.2505815 -121.2008646 0.0497169
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2.50 0.1267605 115.7937880 -115.6867206 0.1070674
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2.67 0.0874738 110.3173458 -110.1822825 0.1350633
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2.83 0.0604836 104.8273416 -104.6695243 0.1578172
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3.00 0.0421370 99.3279578 -99.1632624 0.1646954
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3.17 0.0295364 93.8220434 -93.6526166 0.1694268
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3.33 0.0206452 88.3115556 -88.1441075 0.1674481
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3.50 0.0143339 82.7978712 -82.6356829 0.1621883
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3.67 0.0099612 77.2819653 -77.1251288 0.1568364
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3.83 0.0069730 71.7645150 -71.6184409 0.1460741
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4.00 0.0048738 66.2459849 -66.1065677 0.1394172
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4.17 0.0033618 60.7267005 -60.6007100 0.1259905
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4.33 0.0023047 55.2068950 -55.0885365 0.1183586
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4.50 0.0015947 49.6867319 -49.5824535 0.1042784
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4.67 0.0011034 44.1663216 -44.0709950 0.0953266
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4.83 0.0007404 38.6457406 -38.5637827 0.0819579
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5.00 0.0004775 33.1250449 -33.0537681 0.0712769
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5.17 0.0003036 27.6042749 -27.5449210 0.0593539
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5.33 0.0001904 22.0834576 -22.0365973 0.0468603
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5.50 0.0001088 16.5626106 -16.5261296 0.0364811
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5.67 0.0000501 11.0417468 -11.0192104 0.0225364
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5.83 0.0000179 5.5208749 -5.5076503 0.0132246
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