srDFT_SC/calcs/extensivity/scf_energies

10 lines
241 B
Plaintext
Raw Normal View History

2019-10-13 17:22:30 +02:00
## F2 + He
# HF correction PBE
2019-10-13 13:01:42 +02:00
-2.85570466771188 -0.0112667838948910
-198.698792752661 -0.1596345827582842
-201.554497420371 -0.1709013666531826
2019-10-13 17:22:30 +02:00
1.9 10^-12 7 10^-15
# N2
-54.3898707291144
-108.779741458229