Input 03-xc.gga_x_b86.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b86 Eigenvalue up | -9.721220000000000e-01 | -9.720825000000000e-01 | 4.350000000000000e-05 | -3.950000000008114e-05 | PASS |
| gga_x_b86 Eigenvalue dn | -8.211930000000000e-01 | -8.211550000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_b86 Exchange | -3.220196600000000e-01 | -3.220159700000000e-01 | 4.060000000000000e-06 | -3.690000000000637e-06 | PASS |
| gga_x_b86 Int[n*v_xc] | -4.080367900000000e-01 | -4.080322900000000e-01 | 4.950000000000000e-06 | -4.500000000018378e-06 | PASS |