srDFT_Ex/Data/data_water/data_AVDZ_Si_state_3

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2018-12-05 18:14:12 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000000001 0.0000000001 -0.0994041707 -0.0938945027
0.0000000001 0.000000001 -0.0993954637 -0.0938954734
0.0000000001 0.00000001 -0.0993256076 -0.0938976695
0.0000000001 0.0000001 -0.0991014448 -0.0939087934
0.0000000001 0.000001 -0.0985286643 -0.0940397919
0.0000000001 0.00001 -0.0979122583 -0.0943853179
0.0000000001 0.0001 -0.0975359595 -0.0964467571
0.0000000001 0.001 -0.0980035858 -0.1012509393
0.0000000001 0.9 -0.1039389070 -0.1037715961
0.00000001 0.0000000001 -0.0994041092 -0.0938944536
0.00000001 0.000000001 -0.0993954018 -0.0938954243
0.00000001 0.00000001 -0.0993255420 -0.0938976203
0.00000001 0.0000001 -0.0991013704 -0.0939087452
0.00000001 0.000001 -0.0985285614 -0.0940397470
0.00000001 0.00001 -0.0979121623 -0.0943852981
0.00000001 0.0001 -0.0975359206 -0.0964467565
0.00000001 0.001 -0.0980035342 -0.1012509324
0.00000001 0.9 -0.1039387370 -0.1037714091
0.0000001 0.0000001 -0.0991009459 -0.0939085265
0.0000001 0.000001 -0.0985280385 -0.0940395436
0.0000001 0.00001 -0.0979116915 -0.0943852001
0.0000001 0.0001 -0.0975357173 -0.0964467340
0.0000001 0.001 -0.0980032968 -0.1012508917
0.0000001 0.9 -0.1039378602 -0.1037705053
0.000001 0.0000001 -0.0990963720 -0.0939068927
0.000001 0.000001 -0.0985233432 -0.0940379413
0.000001 0.00001 -0.0979071741 -0.0943838183
0.000001 0.0001 -0.0975317831 -0.0964455020
0.000001 0.001 -0.0979992516 -0.1012495276
0.000001 0.9 -0.1039315758 -0.1037670883
0.00001 0.0000001 -0.0990689994 -0.0938943121
0.00001 0.000001 -0.0984935652 -0.0940257129
0.00001 0.00001 -0.0978786407 -0.0943745402
0.00001 0.0001 -0.0975084993 -0.0964384877
0.00001 0.001 -0.0979748528 -0.1012421270
0.00001 0.9 -0.1039023464 -0.1037452848
0.0001 0.0000001 -0.0990743610 -0.0939064089
0.0001 0.000001 -0.0984971624 -0.0940390163
0.0001 0.00001 -0.0978904192 -0.0943948829
0.0001 0.0001 -0.0975408710 -0.0964648578
0.0001 0.001 -0.0980054711 -0.1012681069
0.0001 0.9 -0.1038462925 -0.1036993811
0.001 0.0000001 -0.0988717084 -0.0938753608
0.001 0.000001 -0.0982930465 -0.0940081235
0.001 0.00001 -0.0976874055 -0.0943652425
0.001 0.0001 -0.0973389566 -0.0964324150
0.001 0.001 -0.0978081228 -0.1012425052
0.001 0.9 -0.1036243595 -0.1036591452