srDFT_SC/new/F2_avtz/data/data_DFT_avtz

11 lines
467 B
Plaintext
Raw Normal View History

2019-10-01 19:13:31 +02:00
# FCI PBE PBEot
2.30 -199.27927717 -0.0713878775 -0.0784372415
2.50 -199.30994843 -0.0701745124 -0.0772554365
2.725 -199.31529015 -0.0690986129 -0.0761811059
3.00 -199.30601449 -0.0681618376 -0.0752091020
3.50 -199.28127454 -0.0673040593 -0.0742382849
4.00 -199.26658358 -0.0670617497 -0.0738988364
5.00 -199.25694499 -0.0670632767 -0.0738207335
7.00 -199.25673976 -0.0671131200 -0.0738529415
10.0 -199.25665222 -0.0671296514 -0.0738689157