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

7 lines
219 B
Plaintext

# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.0000001 0.0000001 -0.0950136899
0.000001 0.000001 -0.0950141443
0.00001 0.00001 -0.0950103475
0.0001 0.0001 -0.0950379633
0.001 0.001 -0.0951265162