srDFT_Ex/Data/data_ethylene/data_AVTZ_ST_state_2
2018-12-11 16:24:24 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.00000001 0.00000001 -0.0794753722 -0.0782380059
0.0000001 0.0000001 -0.0795111518 -0.0784036508