Elements

PW

PBE

PBEsol

TPSS

SCAN

HF

PBE0

K

−598.1992

−599.7111

−598.9171

−599.9402

−599.9368

−599.1648

−599.7514

Ca

−675.7353

−677.3495

−676.5013

−677.5859

−677.5821

−676.7582

−677.3925

Sc

−758.6778

−760.3916

−759.4911

−760.6306

−760.6267

−759.7357

−760.4263

Ti

−847.2954

−849.1098

−848.1569

−849.3527

−849.3488

−848.3701

−849.1210

V

−941.7335

−943.6496

−942.6440

−943.8973

−943.8932

−942.8037

−943.6192

Cr

−1042.2086

−1044.2318

−1043.1756

−1044.4882

−1044.4841

−1043.1418

−1044.0567