Input 03-xc.gga_x_optpbe_vdw.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optpbe_vdw Eigenvalue up | -9.637880000000000e-01 | -9.637485000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| gga_x_optpbe_vdw Eigenvalue dn | -8.138290000000000e-01 | -8.137915000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_x_optpbe_vdw Exchange | -3.146391300000000e-01 | -3.146356050000000e-01 | 3.900000000000000e-06 | -3.525000000004219e-06 | PASS |
| gga_x_optpbe_vdw Int[n*v_xc] | -3.998967400000000e-01 | -3.998924350000000e-01 | 4.760000000000000e-06 | -4.304999999926729e-06 | PASS |