srDFT_G2/Data/data_srDFT/data_VDZ/data_NH2_cc-pVDZ

7 lines
294 B
Plaintext
Raw Normal View History

2018-12-19 11:48:30 +01:00
# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.0865598643 -0.0812349459
0.000001 0.000001 -0.0865780970 -0.0813276579
0.000001 0.00001 -0.0866117698 -0.0815403125
0.000001 0.0001 -0.0868017306 -0.0825213387
0.000001 0.001 -0.0875901983 -0.0870569500