srDFT_G2/Data/data_sr_dft_new/data_VTZ/data_HCl_cc-pVTZ
Emmanuel Giner 5c0321dfbf data_VTZ/
2018-12-19 12:49:56 +01:00

4 lines
150 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.2717406829 -0.3244747776
0.000001 0.000001 -0.2718131706 -0.3247069787