Input 03-xc.gga_x_optx.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optx Eigenvalue up | -9.754010000000000e-01 | -9.753615000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_optx Eigenvalue dn | -8.255000000000000e-01 | -8.254625000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_optx Exchange | -3.283290000000000e-01 | -3.283253150000000e-01 | 4.080000000000000e-06 | -3.684999999975513e-06 | PASS |
| gga_x_optx Int[n*v_xc] | -4.115215900000000e-01 | -4.115172800000000e-01 | 4.760000000000000e-06 | -4.310000000007363e-06 | PASS |