srDFT_Ex/Data/data_water/data_AVTZ_Tr_state_2
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 -0.0556120668 -0.0566883891
0.0000001 0.000001 -0.0554952583 -0.0568703773
0.0000001 0.00001 -0.0554914385 -0.0576271753
0.0000001 0.0001 -0.0556968996 -0.0600933541
0.0000001 0.001 -0.0555987398 -0.0625508201
0.0000001 0.9 -0.0557109267 -0.0626333998
0.000001 0.0000001 -0.0556143526 -0.0566895777
0.000001 0.000001 -0.0554978590 -0.0568714974
0.000001 0.00001 -0.0554944459 -0.0576281468
0.000001 0.0001 -0.0556999248 -0.0600939118
0.000001 0.001 -0.0556011504 -0.0625511449
0.000001 0.9 -0.0557140182 -0.0626339054
0.00001 0.0000001 -0.0556230518 -0.0566909782
0.00001 0.000001 -0.0555060195 -0.0568726301
0.00001 0.00001 -0.0555015812 -0.0576288593
0.00001 0.0001 -0.0557047373 -0.0600938765
0.00001 0.001 -0.0556041227 -0.0625507911
0.00001 0.9 -0.0557175346 -0.0626337337
0.0001 0.0000001 -0.0556872363 -0.0566955500
0.0001 0.000001 -0.0555685116 -0.0568768049
0.0001 0.00001 -0.0555616047 -0.0576323771
0.0001 0.0001 -0.0557609692 -0.0600967083
0.0001 0.001 -0.0556569601 -0.0625535214
0.0001 0.9 -0.0557699235 -0.0626366825
0.001 0.0000001 -0.0557544046 -0.0567001077
0.001 0.000001 -0.0556336621 -0.0568810831
0.001 0.00001 -0.0556243353 -0.0576363745
0.001 0.0001 -0.0558200491 -0.0601009012
0.001 0.001 -0.0557134663 -0.0625589935
0.001 0.9 -0.0558247350 -0.0626420581