Input 03-xc.pbe0_fock.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run cmake_foss_2022a_min_mpi

Matches

Name	Value	Reference	Precision	Difference	Status
PBE0 Fock Eigenvalue up	-1.024753000000000e+00	-1.024722000000000e+00	3.410000000000000e-05	-3.099999999989222e-05	PASS
PBE0 Fock Eigenvalue dn	-8.208990000000000e-01	-8.208640000000000e-01	3.850000000000000e-05	-3.500000000000725e-05	PASS
PBE0 Fock Correlation	-2.521400000000000e-01	-2.521371850000000e-01	3.100000000000000e-06	-2.814999999989354e-06	PASS
PBE0 Fock Int[n*v_xc]	-3.236491900000000e-01	-3.236457000000000e-01	3.840000000000000e-06	-3.489999999994886e-06	PASS
PBE0 Fock Total	-5.804006100000000e-01	-5.803856600000000e-01	1.640000000000000e-05	-1.494999999995805e-05	PASS

Compare to other inputs