srDFT_G2/Data/data_srDFT/data_VDZ/data_CH4_cc-pVDZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0811602058 -0.0741946673
0.000001 0.000001 -0.0812035622 -0.0743962067
0.000001 0.00001 -0.0812212211 -0.0747669370
0.000001 0.0001 -0.0815597727 -0.0760466128
0.000001 0.001 -0.0826578349 -0.0812554339