srDFT_Ex/Data/data_formaldehyde/data_AVTZ_ST_0.000001

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2018-12-05 18:14:12 +01:00
# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.0963556472 -0.0945150994 -0.0996787710 -0.0981158591
2 -0.0958152853 -0.0943401947 -0.0986273534 -0.0973608675