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 0.0000071 397.6783920 -397.2403268 0.4380652
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-5.67 0.0000276 397.6783902 -397.2428745 0.4355157
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-5.50 0.0000732 397.6783839 -397.2407815 0.4376025
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-5.33 0.0001407 397.6783662 -397.2422368 0.4361293
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-5.17 0.0002368 397.6783265 -397.2415483 0.4367782
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-5.00 0.0003877 397.6782498 -397.2413831 0.4368667
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-4.83 0.0006200 397.6781126 -397.2423854 0.4357272
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-4.67 0.0009448 397.6778793 -397.2405855 0.4372938
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-4.50 0.0013881 397.6774997 -397.2430316 0.4344681
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-4.33 0.0020350 397.6769048 -397.2401023 0.4368025
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-4.17 0.0030086 397.6759938 -397.2432636 0.4327302
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-4.00 0.0044138 397.6746162 -397.2401089 0.4345073
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-3.83 0.0063792 397.6725551 -397.2429699 0.4295853
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-3.67 0.0091987 397.6695057 -397.2406455 0.4288602
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-3.50 0.0133606 397.6650293 -397.2421873 0.4228421
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-3.33 0.0194179 397.6584812 -397.2415996 0.4168816
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-3.17 0.0280096 397.6489250 -397.2410964 0.4078287
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-3.00 0.0402518 397.6350302 -397.2427299 0.3923003
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-2.83 0.0581611 397.6148948 -397.2399795 0.3749152
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-2.67 0.0846247 397.5857369 -397.2437254 0.3420115
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-2.50 0.1232981 397.5434546 -397.2391512 0.3043034
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-2.33 0.1794202 397.4820554 -397.2442829 0.2377725
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-2.17 0.2614587 397.3928307 -397.2388819 0.1539488
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-2.00 0.3819331 397.2630466 -397.2441799 0.0188668
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-1.83 0.5564486 397.0740398 -397.2393385 -0.1652986
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-1.67 0.8029269 396.7988369 -397.2433209 -0.4444840
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-1.50 1.1430291 396.3993871 -397.2405830 -0.8411959
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-1.33 1.6012885 395.8232461 -397.2418471 -1.4186010
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-1.17 2.1918241 394.9999830 -397.2429164 -2.2429334
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-1.00 2.8912067 393.8393784 -397.2428253 -3.4034469
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-0.83 3.6202353 392.2352741 -397.2379502 -5.0026761
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-0.67 4.2682758 390.0773997 -397.1698033 -7.0924036
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-0.50 4.7545196 387.2674988 -397.8075738 -10.5400750
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-0.33 5.0656788 383.7312013 -398.7357279 -15.0045266
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-0.17 5.2324789 379.4203942 -397.8150306 -18.3946364
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0.00 5.2848611 374.3091214 -393.8802999 -19.5711785
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0.17 5.2331920 368.3892244 -386.7805392 -18.3913148
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0.33 5.0676398 361.6687453 -376.6667452 -14.9979999
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0.50 4.7584166 354.1734471 -364.7040997 -10.5306526
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0.67 4.2745605 345.9511492 -353.0318379 -7.0806888
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0.83 3.6289433 337.0758610 -342.0654934 -4.9896324
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1.00 2.9019519 327.6454733 -331.0358772 -3.3904039
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1.17 2.2039154 317.7699480 -320.0014769 -2.2315289
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1.33 1.6139295 307.5552385 -308.9659163 -1.4106778
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1.50 1.1555019 297.0914787 -297.9301608 -0.8386821
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1.67 0.8146693 286.4491233 -286.8984073 -0.4492840
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1.83 0.5670601 275.6807267 -275.8599336 -0.1792069
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2.00 0.3911882 264.8245105 -264.8302836 -0.0057731
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2.17 0.2693137 253.9076537 -253.7904943 0.1171594
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2.33 0.1859660 242.9490326 -242.7614040 0.1876286
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2.50 0.1286814 231.9615808 -231.7217809 0.2397999
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2.67 0.0890013 220.9541850 -220.6918637 0.2623213
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2.83 0.0616900 209.9329921 -209.6536265 0.2793656
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3.00 0.0430893 198.9022339 -198.6218855 0.2803484
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3.17 0.0302886 187.8647985 -187.5857606 0.2790379
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3.33 0.0212363 176.8226740 -176.5517725 0.2709015
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3.50 0.0147935 165.7772618 -165.5178688 0.2593930
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3.67 0.0103156 154.7295573 -154.4818357 0.2477216
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3.83 0.0072447 143.6802540 -143.4496687 0.2305852
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4.00 0.0050801 132.6298289 -132.4123164 0.2175124
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4.17 0.0035161 121.5786177 -121.3809797 0.1976380
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4.33 0.0024186 110.5268616 -110.3433271 0.1835345
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4.50 0.0016782 99.4747303 -99.3117651 0.1629653
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4.67 0.0011637 88.4223390 -88.2748275 0.1475115
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4.83 0.0007823 77.3697677 -77.2421362 0.1276315
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5.00 0.0005053 66.3170751 -66.2066424 0.1104327
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5.17 0.0003212 55.2643039 -55.1723163 0.0919876
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5.33 0.0002009 44.2114827 -44.1385135 0.0729692
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5.50 0.0001139 33.1586302 -33.1025668 0.0560635
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5.67 0.0000517 22.1057600 -22.0701685 0.0355915
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5.83 0.0000179 11.0528815 -11.0331294 0.0197521
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6.00 0.0000058 0.0000000 -0.0014223 -0.0014223
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