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 0.0000053 396.7789366 -397.2431476 -0.4642109
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-5.83 0.0000146 396.7789361 -397.2403633 -0.4614273
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-5.67 0.0000420 396.7789330 -397.2429111 -0.4639781
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-5.50 0.0000932 396.7789232 -397.2408180 -0.4618948
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-5.33 0.0001649 396.7788989 -397.2422734 -0.4633745
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-5.17 0.0002648 396.7788490 -397.2415849 -0.4627359
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-5.00 0.0004204 396.7787577 -397.2414196 -0.4626619
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-4.83 0.0006582 396.7786010 -397.2424220 -0.4638210
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-4.67 0.0009891 396.7783422 -397.2406220 -0.4622798
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-4.50 0.0014399 396.7779303 -397.2430682 -0.4651378
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-4.33 0.0020970 396.7772952 -397.2401389 -0.4628437
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-4.17 0.0030840 396.7763344 -397.2433001 -0.4669657
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-4.00 0.0045057 396.7748955 -397.2401455 -0.4652500
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-3.83 0.0064916 396.7727589 -397.2430065 -0.4702476
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-3.67 0.0093370 396.7696166 -397.2406821 -0.4710655
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-3.50 0.0135300 396.7650261 -397.2422238 -0.4771977
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-3.33 0.0196205 396.7583379 -397.2416361 -0.4832982
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-3.17 0.0282453 396.7486106 -397.2411329 -0.4925223
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-3.00 0.0405192 396.7345086 -397.2427665 -0.5082579
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-2.83 0.0584552 396.7141250 -397.2400161 -0.5258911
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-2.67 0.0849325 396.6846740 -397.2437619 -0.5590879
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-2.50 0.1235979 396.6420518 -397.2391878 -0.5971360
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-2.33 0.1796816 396.5802671 -397.2443195 -0.6640524
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-2.17 0.2616371 396.4906173 -397.2389184 -0.7483011
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-2.00 0.3819603 396.3603818 -397.2442164 -0.8838346
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-1.83 0.5562386 396.1709204 -397.2393750 -1.0684546
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-1.67 0.8024007 395.8952961 -397.2433574 -1.3480613
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-1.50 1.1421376 395.4955063 -397.2406195 -1.7451132
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-1.33 1.6000392 394.9191618 -397.2418837 -2.3227219
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-1.17 2.1903492 394.0958850 -397.2429530 -3.1470680
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-1.00 2.8898527 392.9354883 -397.2428618 -4.3073736
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-0.83 3.6195529 391.3317922 -397.2379868 -5.9061946
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-0.67 4.2688545 389.1744229 -397.1698399 -7.9954170
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-0.50 4.7567896 386.3649327 -397.8076104 -11.4426777
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-0.33 5.0697690 382.8286963 -398.7357646 -15.9070684
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-0.17 5.2380437 378.5173275 -397.8150672 -19.2977397
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0.00 5.2908390 373.4046537 -393.8803361 -20.4756824
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0.17 5.2377752 367.4824629 -386.7805748 -19.2981120
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0.33 5.0687200 360.7590149 -376.6667799 -15.9077650
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0.50 4.7542559 353.2606045 -364.7041333 -11.4435288
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0.67 4.2642713 345.0358436 -353.0318704 -7.9960268
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0.83 3.6126966 336.1596671 -342.0655249 -5.9058578
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1.00 2.8809281 326.7308655 -331.0359076 -4.3050421
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1.17 2.1799262 316.8601249 -320.0015064 -3.1413815
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1.33 1.5888535 306.6538522 -308.9659447 -2.3120925
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1.50 1.1308958 296.2023524 -297.9301882 -1.7278358
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1.67 0.7916910 285.5760133 -286.8984337 -1.3224205
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1.83 0.5465017 274.8271443 -275.8599589 -1.0328146
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2.00 0.3734551 263.9936013 -264.8303080 -0.8367067
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2.17 0.2544287 253.1021352 -253.7905176 -0.6883824
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2.33 0.1736944 242.1711891 -242.7614263 -0.5902372
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2.50 0.1186979 231.2132973 -231.7218022 -0.5085050
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2.67 0.0809731 220.2369957 -220.6918840 -0.4548883
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2.83 0.0552839 209.2481317 -209.6536458 -0.4055141
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3.00 0.0379866 198.2506882 -198.6219038 -0.3712156
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3.17 0.0262266 187.2473530 -187.5857779 -0.3384250
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3.33 0.0180245 176.2399534 -176.5517888 -0.3118353
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3.50 0.0122853 165.2297604 -165.5178840 -0.2881237
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3.67 0.0083769 154.2176612 -154.4818499 -0.2641888
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3.83 0.0057546 143.2042617 -143.4496819 -0.2454202
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4.00 0.0039436 132.1899701 -132.4123286 -0.2223585
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4.17 0.0026602 121.1750675 -121.3809909 -0.2059233
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4.33 0.0017803 110.1597521 -110.3433373 -0.1835852
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4.50 0.0012028 99.1441599 -99.3117742 -0.1676143
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4.67 0.0008117 88.1283811 -88.2748357 -0.1464546
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4.83 0.0005277 77.1124765 -77.2421433 -0.1296668
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5.00 0.0003266 66.0964900 -66.2066485 -0.1101585
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5.17 0.0001978 55.0804525 -55.1723214 -0.0918689
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5.33 0.0001172 44.0643841 -44.1385176 -0.0741334
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5.50 0.0000609 33.0482975 -33.1025698 -0.0542724
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5.67 0.0000229 22.0322012 -22.0701705 -0.0379693
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5.83 0.0000062 11.0161012 -11.0331304 -0.0170292
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