srDFT_G2/Data/data_srDFT/data_VDZ/data_H2S_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 -0.3131969487 -0.3531846724
0.000001 0.000001 -0.3132158545 -0.3533057257
0.000001 0.00001 -0.3132564558 -0.3536189132
0.000001 0.0001 -0.3133243267 -0.3543840799
0.000001 0.001 -0.3138296814 -0.3587094197