Input 03-xc.gga_xc_b97_d.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_b97_d Eigenvalue up | -9.869170000000000e-01 | -9.868770000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_b97_d Eigenvalue dn | -8.794880000000000e-01 | -8.794480000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_xc_b97_d Correlation | -3.405989800000000e-01 | -3.405951950000000e-01 | 4.150000000000000e-06 | -3.784999999978389e-06 | PASS |
| gga_xc_b97_d Int[n*v_xc] | -4.315314500000000e-01 | -4.315265750000000e-01 | 5.350000000000000e-06 | -4.874999999959773e-06 | PASS |