srDFT_G2/Data/data_srDFT/data_VDZ/data_C2H4_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 -0.1491025592 -0.1379575218
0.000001 0.000001 -0.1492334713 -0.1385588773
0.000001 0.00001 -0.1493744351 -0.1394056043
0.000001 0.0001 -0.1503030258 -0.1430704464
0.000001 0.001 -0.1514467497 -0.1509410444