Input 03-xc.gga_x_pbe_sol.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe_sol Eigenvalue up | -9.534570000000000e-01 | -9.534170000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_pbe_sol Eigenvalue dn | -8.021610000000000e-01 | -8.021245000000000e-01 | 4.010000000000000e-05 | -3.649999999999487e-05 | PASS |
| gga_x_pbe_sol Exchange | -3.026346700000000e-01 | -3.026313600000000e-01 | 3.640000000000000e-06 | -3.309999999978608e-06 | PASS |
| gga_x_pbe_sol Int[n*v_xc] | -3.892978800000000e-01 | -3.892937500000000e-01 | 4.540000000000000e-06 | -4.129999999991085e-06 | PASS |