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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-5.83 0.0000143 396.7678015 -397.2403268 -0.4725252
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-5.67 0.0000415 396.7677985 -397.2428745 -0.4750760
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-5.50 0.0000925 396.7677889 -397.2407815 -0.4729926
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-5.33 0.0001640 396.7677648 -397.2422368 -0.4744720
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-5.17 0.0002635 396.7677153 -397.2415483 -0.4738331
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-5.00 0.0004185 396.7676246 -397.2413831 -0.4737584
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-4.83 0.0006552 396.7674688 -397.2423854 -0.4749167
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-4.67 0.0009847 396.7672113 -397.2405855 -0.4733741
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-4.50 0.0014336 396.7668015 -397.2430316 -0.4762301
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-4.33 0.0020881 396.7661694 -397.2401023 -0.4739330
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-4.17 0.0030715 396.7652130 -397.2432636 -0.4780506
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-4.00 0.0044885 396.7637803 -397.2401089 -0.4763286
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-3.83 0.0064685 396.7616527 -397.2429699 -0.4813172
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-3.67 0.0093066 396.7585230 -397.2406455 -0.4821225
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-3.50 0.0134903 396.7539497 -397.2421873 -0.4882375
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-3.33 0.0195704 396.7472848 -397.2415996 -0.4943147
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-3.17 0.0281844 396.7375886 -397.2410964 -0.5035078
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-3.00 0.0404480 396.7235269 -397.2427299 -0.5192030
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-2.83 0.0583751 396.7031945 -397.2399795 -0.5367851
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-2.67 0.0848457 396.6738070 -397.2437254 -0.5699184
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-2.50 0.1235076 396.6312615 -397.2391512 -0.6078897
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-2.33 0.1795921 396.5695673 -397.2442829 -0.6747156
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-2.17 0.2615531 396.4800217 -397.2388819 -0.7588601
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-2.00 0.3818874 396.3499032 -397.2441799 -0.8942767
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-1.83 0.5561829 396.1605699 -397.2393385 -1.0787686
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-1.67 0.8023637 395.8850822 -397.2433209 -1.3582387
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-1.50 1.1421101 395.4854348 -397.2405830 -1.7551482
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-1.33 1.5999987 394.9092372 -397.2418471 -2.3326099
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-1.17 2.1902635 394.0861140 -397.2429164 -3.1568024
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-1.00 2.8896839 392.9258844 -397.2428253 -4.3169408
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-0.83 3.6192585 391.3223820 -397.2379502 -5.9155682
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-0.67 4.2684016 389.1652520 -397.1698033 -8.0045513
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-0.50 4.7561920 386.3560704 -397.8075738 -11.4515034
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-0.33 5.0691080 382.8202331 -398.7357279 -15.9154948
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-0.17 5.2374385 378.5093634 -397.8150306 -19.3056672
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0.00 5.2903925 373.3972801 -393.8802999 -20.4830198
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0.17 5.2375352 367.4757476 -386.7805392 -19.3047916
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0.33 5.0686734 360.7529950 -376.6667452 -15.9137502
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0.50 4.7543587 353.2552879 -364.7040997 -11.4488118
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0.67 4.2644876 345.0312150 -353.0318379 -8.0006230
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0.83 3.6130046 336.1556936 -342.0654934 -5.9097998
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1.00 2.8813024 326.7275003 -331.0358772 -4.3083768
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1.17 2.1803354 316.8573111 -320.0014769 -3.1441658
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1.33 1.5892728 306.6515274 -308.9659163 -2.3143888
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1.50 1.1313080 296.2004527 -297.9301608 -1.7297081
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1.67 0.7920798 285.5744756 -286.8984073 -1.3239317
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1.83 0.5468515 274.8259094 -275.8599336 -1.0340242
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2.00 0.3737567 263.9926157 -264.8302836 -0.8376680
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2.17 0.2546819 253.1013525 -253.7904943 -0.6891417
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2.33 0.1739041 242.1705706 -242.7614040 -0.5908334
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2.50 0.1188695 231.2128107 -231.7217809 -0.5089703
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2.67 0.0811122 220.2366147 -220.6918637 -0.4552490
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2.83 0.0553965 209.2478348 -209.6536265 -0.4057917
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3.00 0.0380782 198.2504582 -198.6218855 -0.3714273
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3.17 0.0263012 187.2471757 -187.5857606 -0.3385849
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3.33 0.0180846 176.2398175 -176.5517725 -0.3119550
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3.50 0.0123329 165.2296565 -165.5178688 -0.2882123
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3.67 0.0084141 154.2175820 -154.4818357 -0.2642537
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3.83 0.0057836 143.2042016 -143.4496687 -0.2454671
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4.00 0.0039660 132.1899246 -132.4123164 -0.2223918
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4.17 0.0026775 121.1750331 -121.3809797 -0.2059466
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4.33 0.0017935 110.1597261 -110.3433271 -0.1836010
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4.50 0.0012130 99.1441404 -99.3117651 -0.1676247
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4.67 0.0008195 88.1283663 -88.2748275 -0.1464612
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4.83 0.0005335 77.1124654 -77.2421362 -0.1296708
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5.00 0.0003307 66.0964817 -66.2066424 -0.1101608
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5.17 0.0002008 55.0804463 -55.1723163 -0.0918700
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5.33 0.0001192 44.0643796 -44.1385135 -0.0741339
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5.50 0.0000622 33.0482942 -33.1025668 -0.0542725
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5.67 0.0000236 22.0321992 -22.0701685 -0.0379693
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5.83 0.0000064 11.0161002 -11.0331294 -0.0170292
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6.00 0.0000052 0.0000000 -0.0014223 -0.0014223
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