srDFT_Ex/Data/data_water/data_AVDZ_Tr_state_1
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 -0.0946726143 -0.0929097586
0.0000001 0.000001 -0.0944834237 -0.0930388858
0.0000001 0.00001 -0.0944244636 -0.0933404613
0.0000001 0.0001 -0.0947751750 -0.0950992525
0.0000001 0.001 -0.0949500777 -0.0989945476
0.0000001 0.9 -0.0951690071 -0.0992553218
0.000001 0.0000001 -0.0946739497 -0.0929093441
0.000001 0.000001 -0.0944847178 -0.0930384590
0.000001 0.00001 -0.0944257184 -0.0933400297
0.000001 0.0001 -0.0947764619 -0.0950988457
0.000001 0.001 -0.0949512502 -0.0989941842
0.000001 0.9 -0.0951701066 -0.0992549242
0.00001 0.0000001 -0.0946720095 -0.0929076136
0.00001 0.000001 -0.0944826496 -0.0930366974
0.00001 0.00001 -0.0944235537 -0.0933382541
0.00001 0.0001 -0.0947742521 -0.0950970766
0.00001 0.001 -0.0949487092 -0.0989923985
0.00001 0.9 -0.0951674942 -0.0992531255
0.0001 0.0000001 -0.0947450529 -0.0929197234
0.0001 0.000001 -0.0945538543 -0.0930482270
0.0001 0.00001 -0.0944933817 -0.0933495717
0.0001 0.0001 -0.0948420953 -0.0951086455
0.0001 0.001 -0.0950112324 -0.0990050057
0.0001 0.9 -0.0952278384 -0.0992653620
0.001 0.0000001 -0.0947599329 -0.0929015930
0.001 0.000001 -0.0945680353 -0.0930300998
0.001 0.00001 -0.0945069922 -0.0933315076
0.001 0.0001 -0.0948572358 -0.0950916717
0.001 0.001 -0.0950251221 -0.0989911627
0.001 0.9 -0.0952400732 -0.0992502352