Input 03-xc.gga_x_pw86.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pw86 Eigenvalue up | -9.731550000000000e-01 | -9.731150000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_pw86 Eigenvalue dn | -8.215150000000000e-01 | -8.214764999999999e-01 | 4.230000000000000e-05 | -3.850000000005238e-05 | PASS |
| gga_x_pw86 Exchange | -3.223467400000000e-01 | -3.223429850000000e-01 | 4.130000000000000e-06 | -3.754999999994180e-06 | PASS |
| gga_x_pw86 Int[n*v_xc] | -4.089273000000000e-01 | -4.089226650000000e-01 | 5.100000000000000e-06 | -4.635000000030587e-06 | PASS |