srDFT_Ex/Data/data_water/data_AVTZ_Si_state_3
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

32 lines
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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0587458416 -0.0573362626
0.0000001 0.000001 -0.0580379134 -0.0574868372
0.0000001 0.00001 -0.0572609563 -0.0581893324
0.0000001 0.0001 -0.0569685791 -0.0608167880
0.0000001 0.001 -0.0572445972 -0.0637153755
0.0000001 0.9 -0.0623982598 -0.0652551457
0.000001 0.0000001 -0.0587373403 -0.0573340818
0.000001 0.000001 -0.0580294397 -0.0574853911
0.000001 0.00001 -0.0572532160 -0.0581890162
0.000001 0.0001 -0.0569626196 -0.0608172184
0.000001 0.001 -0.0572383598 -0.0637156798
0.000001 0.9 -0.0623904338 -0.0652517932
0.00001 0.0000001 -0.0587062215 -0.0573124879
0.00001 0.000001 -0.0579941082 -0.0574662619
0.00001 0.00001 -0.0572184821 -0.0581753878
0.00001 0.0001 -0.0569345859 -0.0608078970
0.00001 0.001 -0.0572086935 -0.0637059510
0.00001 0.9 -0.0623687046 -0.0652284985
0.0001 0.0000001 -0.0586616663 -0.0573078871
0.0001 0.000001 -0.0579597589 -0.0574723130
0.0001 0.00001 -0.0572073541 -0.0581943626
0.0001 0.0001 -0.0569540856 -0.0608355952
0.0001 0.001 -0.0572233790 -0.0637327173
0.0001 0.9 -0.0623044314 -0.0651856310
0.001 0.0000001 -0.0583641071 -0.0572637835
0.001 0.000001 -0.0576823596 -0.0574374454
0.001 0.00001 -0.0569602617 -0.0581700802
0.001 0.0001 -0.0567357989 -0.0608165969
0.001 0.001 -0.0570025047 -0.0637148763
0.001 0.9 -0.0619609853 -0.0651033286