srDFT_Ex/Data/data_formaldehyde/AVDZ/data_AVDZ_ST
2018-12-14 00:17:10 +01:00

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# state LDA_HF LDA_PSI PBE_HF PBE_PSI :: WARNING these calculations where performed with 0.00000001 theshold
1 -0.1666500827 -0.1646645245 -0.1617831399 -0.1599890063
2 -0.1654560656 -0.1642536211 -0.1590546394 -0.1578542327