srDFT_Ex/Data/data_formaldehyde/AVTZ/data_AVTZ_Fl
2018-12-14 00:17:10 +01:00

4 lines
188 B
Plaintext

# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.0960228615 -0.0942520478 -0.0992274737 -0.0977258903
2 -0.0956347973 -0.0941996941 -0.0985689397 -0.0973773697