Input 03-xc.gga_xc_mpwlyp1w.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_mpwlyp1w Eigenvalue up | -9.856540000000000e-01 | -9.856140000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_mpwlyp1w Eigenvalue dn | -8.613189999999999e-01 | -8.612810000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_xc_mpwlyp1w Correlation | -3.344321400000000e-01 | -3.344284050000000e-01 | 4.100000000000000e-06 | -3.735000000004707e-06 | PASS |
| gga_xc_mpwlyp1w Int[n*v_xc] | -4.268876300000000e-01 | -4.268828900000000e-01 | 5.210000000000000e-06 | -4.740000000003075e-06 | PASS |