srDFT_G2/Data/data_srDFT/data_VTZ/data_NH3_cc-pVTZ
2018-12-19 11:48:30 +01:00

4 lines
150 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0513830375 -0.0516849239
0.000001 0.000001 -0.0514532299 -0.0518987086