Input 03-xc.gga_x_ft97_a.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_ft97_a Eigenvalue up | -9.723320000000000e-01 | -9.722925000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_ft97_a Eigenvalue dn | -8.267949999999999e-01 | -8.267570000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_ft97_a Exchange | -3.290363100000000e-01 | -3.290325100000000e-01 | 4.170000000000000e-06 | -3.799999999998249e-06 | PASS |
| gga_x_ft97_a Int[n*v_xc] | -4.093252000000000e-01 | -4.093207200000000e-01 | 4.930000000000000e-06 | -4.480000000028905e-06 | PASS |