Input 03-xc.gga_x_dk87_r1.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r1 Eigenvalue up | -9.704600000000000e-01 | -9.704200000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_x_dk87_r1 Eigenvalue dn | -8.184030000000000e-01 | -8.183650000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_dk87_r1 Exchange | -3.202571500000000e-01 | -3.202535150000000e-01 | 4.000000000000000e-06 | -3.635000000001831e-06 | PASS |
| gga_x_dk87_r1 Int[n*v_xc] | -4.061488200000000e-01 | -4.061443300000000e-01 | 4.940000000000000e-06 | -4.490000000023642e-06 | PASS |