Input 03-xc.slater.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
OEP Slater Eigenvalue up -1.128660000000000e+00 -1.128664000000000e+00 4.400000000000000e-06 4.000000000115023e-06 PASS
OEP Slater Eigenvalue dn -6.834480000000001e-01 -6.834740000000000e-01 2.860000000000000e-05 2.599999999997049e-05 PASS
OEP Slater Exchange -2.528940900000000e-01 -2.528807350000000e-01 1.470000000000000e-05 -1.335500000004819e-05 PASS
OEP Slater Int[n*v_xc] -5.057881800000000e-01 -5.057614699999999e-01 2.940000000000000e-05 -2.671000000009638e-05 PASS
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