Input 03-xc.gga_x_mpw91.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_mpw91 Eigenvalue up | -9.707730000000000e-01 | -9.707330000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_mpw91 Eigenvalue dn | -8.189620000000000e-01 | -8.189245000000001e-01 | 4.120000000000000e-05 | -3.749999999991260e-05 | PASS |
| gga_x_mpw91 Exchange | -3.203730600000000e-01 | -3.203694350000000e-01 | 3.990000000000000e-06 | -3.625000000007095e-06 | PASS |
| gga_x_mpw91 Int[n*v_xc] | -4.065108400000000e-01 | -4.065063800000000e-01 | 4.890000000000000e-06 | -4.459999999983921e-06 | PASS |