srDFT_Ex/Data/data_ethylene/data_AVTZ_Si_state_2
2018-12-11 16:24:24 +01:00

4 lines
155 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.00000001 0.00000001 -0.0799609732 -0.0785952555
0.0000001 0.0000001 -0.0799776570 -0.0786407856