srDFT_G2/Data/data_srDFT/data_VDZ/data_H2CO_cc-pVDZ

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2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.1723590962 -0.1667343514
0.000001 0.000001 -0.1724273659 -0.1671664248
0.000001 0.00001 -0.1724833074 -0.1677094792
0.000001 0.0001 -0.1730330851 -0.1705991101
0.000001 0.001 -0.1741791182 -0.1783521855