srDFT_Ex/Data/data_formaldehyde/data_AVTZ_ST_0.000001
Emmanuel Giner 633d185990 added data
2018-12-05 18:14:12 +01:00

4 lines
188 B
Plaintext

# 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