srDFT_G2/Data/data_sr_dft_new/data_VTZ/data_CH3Cl_cc-pVTZ

4 lines
150 B
Plaintext
Raw Normal View History

2018-12-19 12:49:56 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.3163540414 -0.3783645051
0.000001 0.000001 -0.3163530824 -0.3783617826