srDFT_Ex/Data/data_formaldehyde/data_AVTZ_Si_0.000001

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2018-12-05 18:14:12 +01:00
# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.0966347419 -0.0948155534 -0.1004623040 -0.0988581848
2 -0.0961533255 -0.0948179036 -0.0999307805 -0.0987415947
3 -0.0984488822 -0.0938487546 -0.0984882075 -0.0963987322
4 -0.0982421027 -0.0935013789 -0.0983487921 -0.0962136601
5 -0.1012906861 -0.0949180338 -0.0997310394 -0.0963195951
6 -0.1018798337 -0.0941018947 -0.0998941780 -0.0959878159
7 -0.0958340016 -0.0946426514 -0.0996491560 -0.0985651179
8 -0.0961493211 -0.0947007954 -0.1010497047 -0.0997617722