srDFT_SC/new/F2_avtz/data/data_DFT_avtz

12 lines
674 B
Plaintext
Raw Normal View History

2019-10-17 18:30:43 +02:00
# FCI PBE PBEot
2.30 -199.27927717 -0.0713878837 -0.0784372403 -0.0784860917
2.50 -199.30994843 -0.0701744758 -0.0772554045 -0.0773148727
2.725 -199.31529015 -0.0690985618 -0.0761810604 -0.0762537376
3.00 -199.30601449 -0.0681617584 -0.0752090308 -0.0752975859
3.50 -199.28127454 -0.0673040484 -0.0742382843 -0.0743493810
4.00 -199.26658358 -0.0670617767 -0.0738988605 -0.0740233564
5.00 -199.25694499 -0.0670632472 -0.0738207086 -0.0739536075
7.00 -199.25673976 -0.0671132061 -0.0738530291 -0.0739879356
10.0 -199.25665222 -0.0671296232 -0.0738688816 -0.0740038813