Input 03-xc.gga_xc_mpwlyp1w.inp

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

Matches

Name Value Reference Precision Difference Status
gga_xc_mpwlyp1w Eigenvalue up -9.855740000000000e-01 -9.856140000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_xc_mpwlyp1w Eigenvalue dn -8.612430000000000e-01 -8.612810000000000e-01 4.180000000000000e-05 3.799999999998249e-05 PASS
gga_xc_mpwlyp1w Correlation -3.344246800000000e-01 -3.344284050000000e-01 4.100000000000000e-06 3.725000000009970e-06 PASS
gga_xc_mpwlyp1w Int[n*v_xc] -4.268781500000000e-01 -4.268828900000000e-01 5.210000000000000e-06 4.740000000003075e-06 PASS
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