Input 03-xc.gga_xc_mpwlyp1w.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [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 | -3.344246600000000e-01 | -3.344284050000000e-01 | 4.100000000000000e-06 | 3.744999999999443e-06 | PASS |
| gga_xc_mpwlyp1w Int[n*v_xc] | -4.268781200000000e-01 | -4.268828900000000e-01 | 5.210000000000000e-06 | 4.769999999987284e-06 | PASS |