Input 03-xc.gga_x_lg93.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_lg93 Eigenvalue up | -9.714180000000000e-01 | -9.713780000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_lg93 Eigenvalue dn | -8.203960000000000e-01 | -8.203575000000001e-01 | 4.230000000000000e-05 | -3.849999999994136e-05 | PASS |
| gga_x_lg93 Exchange | -3.208448300000000e-01 | -3.208410700000000e-01 | 4.140000000000000e-06 | -3.760000000019303e-06 | PASS |
| gga_x_lg93 Int[n*v_xc] | -4.073137100000000e-01 | -4.073090900000000e-01 | 5.080000000000000e-06 | -4.620000000010727e-06 | PASS |