Input 03-xc.pbe0_oep.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
PBE0 OEP Eigenvalue up -1.024753000000000e+00 -1.024722000000000e+00 3.410000000000000e-05 -3.099999999989222e-05 PASS
PBE0 OEP Eigenvalue dn -8.208990000000000e-01 -8.208640000000000e-01 3.850000000000000e-05 -3.500000000000725e-05 PASS
PBE0 OEP Exchange -6.321684000000000e-02 -6.322018000000000e-02 3.670000000000000e-06 3.340000000004451e-06 PASS
PBE0 OEP Correlation -2.521400000000000e-01 -2.521371850000000e-01 3.100000000000000e-06 -2.814999999989354e-06 PASS
PBE0 OEP Int[n*v_xc] -4.500828800000000e-01 -4.500860700000000e-01 3.510000000000000e-06 3.189999999986259e-06 PASS
PBE0 OEP Total -5.171837700000000e-01 -5.171654900000000e-01 2.010000000000000e-05 -1.828000000003716e-05 PASS
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