Input 03-xc.gga_x_g96.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_min_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_g96 Eigenvalue up | -9.721860000000000e-01 | -9.721465000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_g96 Eigenvalue dn | -8.222070000000000e-01 | -8.221695000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_g96 Exchange | -3.265529300000000e-01 | -3.265492950000000e-01 | 4.020000000000000e-06 | -3.635000000001831e-06 | PASS |
| gga_x_g96 Int[n*v_xc] | -4.082908600000000e-01 | -4.082864750000000e-01 | 4.850000000000000e-06 | -4.384999999940131e-06 | PASS |