srDFT_Ex/Data/data_water/data_AVQZ_Tr_state_1
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0331360871 -0.0367812930
0.0000001 0.9 -0.0334158118 -0.0374194014