Input 03-xc.gga_x_optx.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optx Eigenvalue up | -9.754010000000000e-01 | -9.753615000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_optx Eigenvalue dn | -8.255000000000000e-01 | -8.254625000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_optx Exchange | -3.283290200000000e-01 | -3.283253150000000e-01 | 4.080000000000000e-06 | -3.705000000020497e-06 | PASS |
| gga_x_optx Int[n*v_xc] | -4.115216200000000e-01 | -4.115172800000000e-01 | 4.760000000000000e-06 | -4.339999999991573e-06 | PASS |