srDFT_Ex/Data/data_water/data_AVDZ_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 -0.0953906464 -0.0930105844
0.0000001 0.000001 -0.0953597969 -0.0931475253
0.0000001 0.00001 -0.0953672530 -0.0934564360
0.0000001 0.0001 -0.0957386290 -0.0953593312
0.0000001 0.001 -0.0954430282 -0.0989690395
0.0000001 0.9 -0.0958052028 -0.0991928341
0.000001 0.0000001 -0.0953903645 -0.0930099893
0.000001 0.000001 -0.0953595219 -0.0931469306
0.000001 0.00001 -0.0953669855 -0.0934558411
0.000001 0.0001 -0.0957383837 -0.0953587442
0.000001 0.001 -0.0954427646 -0.0989685139
0.000001 0.9 -0.0958048569 -0.0991922642
0.00001 0.0000001 -0.0953951632 -0.0930093468
0.00001 0.000001 -0.0953643856 -0.0931462827
0.00001 0.00001 -0.0953718162 -0.0934551594
0.00001 0.0001 -0.0957431660 -0.0953580070
0.00001 0.001 -0.0954452876 -0.0989671354
0.00001 0.9 -0.0958082255 -0.0991910848
0.0001 0.0000001 -0.0954472499 -0.0930189317
0.0001 0.000001 -0.0954164255 -0.0931558189
0.0001 0.00001 -0.0954237296 -0.0934645559
0.0001 0.0001 -0.0957947685 -0.0953670188
0.0001 0.001 -0.0954939552 -0.0989756777
0.0001 0.9 -0.0958565405 -0.0991996645
0.001 0.0000001 -0.0954290319 -0.0930063639
0.001 0.000001 -0.0953972082 -0.0931432862
0.001 0.00001 -0.0954035454 -0.0934521402
0.001 0.0001 -0.0957729915 -0.0953546578
0.001 0.001 -0.0954721538 -0.0989696044
0.001 0.9 -0.0958316931 -0.0991926282