srDFT_G2/Data/data_srDFT/data_VDZ/data_C2H2_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 -0.1429243914 -0.1327955203
0.000001 0.000001 -0.1430088013 -0.1331397599
0.000001 0.00001 -0.1431348322 -0.1337865801
0.000001 0.0001 -0.1437514766 -0.1363913057
0.000001 0.001 -0.1448307102 -0.1429227709