srDFT_Ex/Data/data_water/data_AVDZ_Si_state_4
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

50 lines
2.4 KiB
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000000001 0.0000000001 -0.0982485144 -0.0943826237
0.0000000001 0.000000001 -0.0982426263 -0.0943823185
0.0000000001 0.00000001 -0.0982011757 -0.0943785716
0.0000000001 0.0000001 -0.0980051250 -0.0943862457
0.0000000001 0.000001 -0.0971942182 -0.0944191657
0.0000000001 0.00001 -0.0969036787 -0.0949498002
0.0000000001 0.0001 -0.0971486286 -0.0971633643
0.0000000001 0.001 -0.0974297957 -0.1019386473
0.0000000001 0.9 -0.1002333406 -0.1027710294
0.00000001 0.0000000001 -0.0982486072 -0.0943826557
0.00000001 0.000000001 -0.0982427190 -0.0943823505
0.00000001 0.00000001 -0.0982012679 -0.0943786030
0.00000001 0.0000001 -0.0980052148 -0.0943862751
0.00000001 0.000001 -0.0971943067 -0.0944191904
0.00000001 0.00001 -0.0969037633 -0.0949498252
0.00000001 0.0001 -0.0971487197 -0.0971633909
0.00000001 0.001 -0.0974298931 -0.1019386778
0.00000001 0.9 -0.1002334196 -0.1027710502
0.0000001 0.0000001 -0.0980056120 -0.0943864160
0.0000001 0.000001 -0.0971946420 -0.0944193211
0.0000001 0.00001 -0.0969040582 -0.0949499608
0.0000001 0.0001 -0.0971490530 -0.0971635417
0.0000001 0.001 -0.0974302672 -0.1019388500
0.0000001 0.9 -0.1002336201 -0.1027711565
0.000001 0.0000001 -0.0980044051 -0.0943859302
0.000001 0.000001 -0.0971935194 -0.0944187780
0.000001 0.00001 -0.0969029829 -0.0949494240
0.000001 0.0001 -0.0971480116 -0.0971630314
0.000001 0.001 -0.0974292224 -0.1019383831
0.000001 0.9 -0.1002322600 -0.1027705507
0.00001 0.0000001 -0.0979931708 -0.0943813746
0.00001 0.000001 -0.0971819938 -0.0944142300
0.00001 0.00001 -0.0968916110 -0.0949449639
0.00001 0.0001 -0.0971372148 -0.0971587543
0.00001 0.001 -0.0974189562 -0.1019340002
0.00001 0.9 -0.1002190040 -0.1027646498
0.0001 0.0000001 -0.0980475528 -0.0944009502
0.0001 0.000001 -0.0972315246 -0.0944327089
0.0001 0.00001 -0.0969370809 -0.0949635336
0.0001 0.0001 -0.0971839269 -0.0971783419
0.0001 0.001 -0.0974667048 -0.1019552783
0.0001 0.9 -0.1002666487 -0.1027857790
0.001 0.0000001 -0.0983291103 -0.0944966375
0.001 0.000001 -0.0975145860 -0.0945312745
0.001 0.00001 -0.0972230220 -0.0950619370
0.001 0.0001 -0.0974707475 -0.0972766211
0.001 0.001 -0.0977600870 -0.1020633336
0.001 0.9 -0.1005343707 -0.1028926059