mirror of https://gitlab.com/QEF/q-e.git
122 lines
9.8 KiB
Plaintext
122 lines
9.8 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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-6.35 0.0000094 -41.4974274 41.7094116 0.2119842
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-6.24 0.0000029 -40.8135305 41.0254988 0.2119683
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-6.14 0.0000115 -40.1296336 40.3416161 0.2119825
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-6.03 0.0000008 -39.4457369 39.6577074 0.2119705
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-5.93 0.0000085 -38.7618403 38.9738185 0.2119782
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-5.82 0.0000049 -38.0779438 38.2899177 0.2119739
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-5.72 0.0000069 -37.3940474 37.6060198 0.2119725
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-5.61 0.0000050 -36.7101511 36.9221283 0.2119773
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-5.50 0.0000054 -36.0262549 36.2382216 0.2119668
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-5.40 0.0000095 -35.3423588 35.5543378 0.2119790
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-5.29 0.0000024 -34.6584628 34.8704252 0.2119624
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-5.19 0.0000102 -33.9745670 34.1865450 0.2119780
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-5.08 0.0000042 -33.2906713 33.5026318 0.2119605
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-4.97 0.0000107 -32.6067757 32.8187498 0.2119741
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-4.87 0.0000053 -31.9228802 32.1348411 0.2119609
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-4.76 0.0000106 -31.2389849 31.4509523 0.2119674
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-4.66 0.0000085 -30.5550897 30.7670524 0.2119626
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-4.55 0.0000091 -29.8711948 30.0831538 0.2119590
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-4.45 0.0000152 -29.1873000 29.3992641 0.2119641
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-4.34 0.0000128 -28.5034054 28.7153558 0.2119504
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-4.23 0.0000221 -27.8195111 28.0314746 0.2119635
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-4.13 0.0000178 -27.1356172 27.3475600 0.2119428
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-4.02 0.0000296 -26.4517236 26.6636827 0.2119591
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-3.92 0.0000302 -25.7678305 25.9797674 0.2119368
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-3.81 0.0000488 -25.0839381 25.2958877 0.2119496
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-3.70 0.0000640 -24.4000464 24.6119780 0.2119316
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-3.60 0.0000831 -23.7161560 23.9280901 0.2119341
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-3.49 0.0001113 -23.0322671 23.2441911 0.2119241
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-3.39 0.0001385 -22.3483802 22.5602912 0.2119111
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-3.28 0.0002052 -21.6644958 21.8764050 0.2119092
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-3.18 0.0002836 -20.9806152 21.1924931 0.2118779
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-3.07 0.0004206 -20.2967398 20.5086175 0.2118777
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-2.96 0.0005646 -19.6128720 19.8246977 0.2118257
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-2.86 0.0007732 -18.9290146 19.1408270 0.2118125
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-2.75 0.0010526 -18.2451712 18.4569065 0.2117353
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-2.65 0.0014927 -17.5613471 17.7730324 0.2116853
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-2.54 0.0021736 -16.8775504 17.0891198 0.2115694
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-2.43 0.0031133 -16.1937934 16.4052339 0.2114405
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-2.33 0.0044068 -15.5100933 15.7213366 0.2112433
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-2.22 0.0060867 -14.8264735 15.0374329 0.2109594
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-2.12 0.0085550 -14.1429650 14.3535547 0.2105896
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-2.01 0.0121860 -13.4596131 13.6696319 0.2100189
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-1.91 0.0177211 -12.7764845 12.9857708 0.2092863
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-1.80 0.0256361 -12.0936802 12.3018342 0.2081540
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-1.69 0.0367033 -11.4113445 11.6179821 0.2066376
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-1.59 0.0521947 -10.7296795 10.9340428 0.2043634
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-1.48 0.0747304 -10.0489694 10.2501861 0.2012167
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-1.38 0.1089502 -9.3696291 9.5662609 0.1966317
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-1.27 0.1607085 -8.6922866 8.8823818 0.1900953
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-1.16 0.2377824 -8.0178903 8.1984904 0.1806001
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-1.06 0.3493299 -7.3478479 7.5145688 0.1667209
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-0.95 0.5133610 -6.6842050 6.8307338 0.1465288
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-0.85 0.7607396 -6.0299752 6.1467438 0.1167686
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-0.74 1.1436903 -5.3897152 5.4630027 0.0732875
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-0.64 1.7156553 -4.7704376 4.7788818 0.0084441
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-0.53 2.5189180 -4.1825498 4.0953619 -0.0871878
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-0.42 3.6145381 -3.6406921 3.4065320 -0.2341602
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-0.32 4.9334562 -3.1646022 2.7156611 -0.4489411
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-0.21 6.1463489 -2.7776225 2.0747254 -0.7028971
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-0.11 6.9455410 -2.5012082 1.5700535 -0.9311548
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0.00 7.3291404 -2.3498394 1.2768856 -1.0729537
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0.11 7.3953213 -2.3306330 1.2240364 -1.1065966
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0.21 7.0675807 -2.4446526 1.3900812 -1.0545714
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0.32 6.2662690 -2.6858249 1.7336695 -0.9521554
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0.42 5.1384949 -3.0398858 2.2092071 -0.8306787
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0.53 3.9363383 -3.4868241 2.7806520 -0.7061722
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0.64 2.8415001 -4.0051576 3.4255423 -0.5796153
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0.74 1.9638636 -4.5752413 4.1081799 -0.4670615
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0.85 1.3378609 -5.1812488 4.7951496 -0.3860992
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0.95 0.9123373 -5.8117674 5.4795929 -0.3321745
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1.06 0.6235546 -6.4589992 6.1633962 -0.2956030
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1.16 0.4271591 -7.1176530 6.8473253 -0.2703277
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1.27 0.2915089 -7.7841265 7.5312148 -0.2529116
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1.38 0.1990833 -8.4559400 8.2150940 -0.2408460
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1.48 0.1368338 -9.1314010 8.8990195 -0.2323815
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1.59 0.0953930 -9.8093694 9.5828760 -0.2264933
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1.69 0.0671998 -10.4890836 10.2668151 -0.2222685
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1.80 0.0473807 -11.1700263 10.9506678 -0.2193585
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1.91 0.0332505 -11.8518349 11.6346035 -0.2172314
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2.01 0.0231731 -12.5342512 12.3184659 -0.2157853
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2.12 0.0163503 -13.2170918 13.0023870 -0.2147047
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2.22 0.0116367 -13.9002313 13.6862670 -0.2139643
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2.33 0.0084504 -14.5835838 14.3701690 -0.2134148
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2.43 0.0060526 -15.2670902 15.0540679 -0.2130223
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2.54 0.0043184 -15.9507073 15.7379524 -0.2127549
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2.65 0.0030172 -16.6344031 16.4218661 -0.2125369
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2.75 0.0021392 -17.3181541 17.1057395 -0.2124147
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2.86 0.0015567 -18.0019443 17.7896604 -0.2122840
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2.96 0.0011363 -18.6857629 18.4735311 -0.2122318
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3.07 0.0008526 -19.3696023 19.1574505 -0.2121518
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3.18 0.0005896 -20.0534571 19.8413268 -0.2121303
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3.28 0.0004350 -20.7373228 20.5252377 -0.2120851
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3.39 0.0002880 -21.4211963 21.2091251 -0.2120712
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3.49 0.0002316 -22.1050752 21.8930238 -0.2120514
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3.60 0.0001621 -22.7889583 22.5769239 -0.2120344
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3.70 0.0001327 -23.4728443 23.2608108 -0.2120335
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3.81 0.0000935 -24.1567328 23.9447213 -0.2120115
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3.92 0.0000651 -24.8406229 24.6286004 -0.2120225
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4.02 0.0000531 -25.5245143 25.3125159 -0.2119983
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4.13 0.0000324 -26.2084066 25.9963934 -0.2120132
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4.23 0.0000391 -26.8922995 26.6803076 -0.2119919
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4.34 0.0000182 -27.5761931 27.3641894 -0.2120037
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4.45 0.0000284 -28.2600871 28.0480969 -0.2119902
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4.55 0.0000091 -28.9439815 28.7319875 -0.2119940
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4.66 0.0000177 -29.6278762 29.4158851 -0.2119911
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4.76 0.0000082 -30.3117711 30.0997860 -0.2119851
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4.87 0.0000119 -30.9956663 30.7836740 -0.2119923
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4.97 0.0000098 -31.6795616 31.4675833 -0.2119783
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5.08 0.0000065 -32.3634571 32.1514649 -0.2119922
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5.19 0.0000117 -33.0473527 32.8353783 -0.2119744
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5.29 0.0000017 -33.7312485 33.5192586 -0.2119899
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5.40 0.0000125 -34.4151444 34.2031708 -0.2119736
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5.50 0.0000017 -35.0990404 34.8870552 -0.2119852
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5.61 0.0000109 -35.7829366 35.5709612 -0.2119754
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5.72 0.0000021 -36.4668329 36.2548535 -0.2119793
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5.82 0.0000098 -37.1507292 36.9387505 -0.2119787
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5.93 0.0000037 -37.8346258 37.6226522 -0.2119736
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6.03 0.0000045 -38.5185224 38.3065403 -0.2119820
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6.14 0.0000083 -39.2024190 38.9904496 -0.2119694
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6.24 0.0000041 -39.8863159 39.6743319 -0.2119840
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