Input 03-xc.gga_x_pbe.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe Eigenvalue up | -9.680810000000000e-01 | -9.680415000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_pbe Eigenvalue dn | -8.161450000000000e-01 | -8.161070000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_pbe Exchange | -3.168007800000000e-01 | -3.167971900000000e-01 | 3.950000000000000e-06 | -3.589999999997762e-06 | PASS |
| gga_x_pbe Int[n*v_xc] | -4.037942900000000e-01 | -4.037898600000000e-01 | 4.860000000000000e-06 | -4.429999999999712e-06 | PASS |