Input 03-xc.pbe0_fock.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
PBE0 Fock Eigenvalue up -1.024691000000000e+00 -1.024722000000000e+00 3.410000000000000e-05 3.100000000011427e-05 PASS
PBE0 Fock Eigenvalue dn -8.208290000000000e-01 -8.208640000000000e-01 3.850000000000000e-05 3.500000000000725e-05 PASS
PBE0 Fock Correlation -2.521343700000000e-01 -2.521371850000000e-01 3.100000000000000e-06 2.814999999989354e-06 PASS
PBE0 Fock Int[n*v_xc] -3.236422100000000e-01 -3.236457000000000e-01 3.840000000000000e-06 3.489999999994886e-06 PASS
PBE0 Fock Total -5.803707299999999e-01 -5.803856600000000e-01 1.640000000000000e-05 1.493000000007960e-05 PASS
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