Input 03-xc.gga_x_pbe_r.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe_r Eigenvalue up | -9.720850000000000e-01 | -9.720450000000000e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_pbe_r Eigenvalue dn | -8.229290000000000e-01 | -8.228910000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_pbe_r Exchange | -3.239907500000000e-01 | -3.239870300000000e-01 | 4.090000000000000e-06 | -3.719999999984847e-06 | PASS |
| gga_x_pbe_r Int[n*v_xc] | -4.083540100000000e-01 | -4.083495100000000e-01 | 4.940000000000000e-06 | -4.500000000018378e-06 | PASS |