Input 03-xc.gga_x_optpbe_vdw.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_min_autotools: [foss2023b-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 |