Input 02-xc_2d.gga_b86.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| GGA 2D B86 eigenvalue 1 up | 7.583780000000000e-01 | 7.583780000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B86 eigenvalue 2 up | 9.346580000000000e-01 | 9.346580000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B86 eigenvalue 1 dn | 1.169397000000000e+00 | 1.169397000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B86 eigenvalue 2 dn | 1.224726000000000e+00 | 1.224726000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| GGA 2D B86 Exchange | -6.656899400000000e-01 | -6.656903500000000e-01 | 1.000000000000000e-04 | 4.099999999507276e-07 | PASS |
| GGA 2D B86 Int[n*v_xc] | -9.610693200000000e-01 | -9.610695700000000e-01 | 1.000000000000000e-04 | 2.500000000349445e-07 | PASS |