Input 03-xc.gga_x_ft97_b.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_ft97_b Eigenvalue up | -9.721300000000000e-01 | -9.720900000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_ft97_b Eigenvalue dn | -8.265850000000000e-01 | -8.265470000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_ft97_b Exchange | -3.288272300000000e-01 | -3.288234400000000e-01 | 4.170000000000000e-06 | -3.790000000003513e-06 | PASS |
| gga_x_ft97_b Int[n*v_xc] | -4.091212100000000e-01 | -4.091167250000000e-01 | 4.920000000000000e-06 | -4.484999999998518e-06 | PASS |