srDFT_G2/Data/data_srDFT/data_VDZ/data_SO_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 -0.4034612218 -0.4438709865
0.000001 0.000001 -0.4035055503 -0.4442705453
0.000001 0.00001 -0.4035164489 -0.4448196775
0.000001 0.0001 -0.4034712609 -0.4458991793
0.000001 0.001 -0.4043833736 -0.4536727542