Input 03-xc.gga_x_ft97_b.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_ft97_b Eigenvalue up | -9.721300000000000e-01 | -9.720900000000000e-01 | 4.400000000000000e-05 | -4.000000000004000e-05 | PASS |
| gga_x_ft97_b Eigenvalue dn | -8.265850000000000e-01 | -8.265470000000000e-01 | 4.180000000000000e-05 | -3.799999999998249e-05 | PASS |
| gga_x_ft97_b Exchange | -3.288272700000000e-01 | -3.288234400000000e-01 | 4.170000000000000e-06 | -3.829999999982459e-06 | PASS |
| gga_x_ft97_b Int[n*v_xc] | -4.091212500000000e-01 | -4.091167250000000e-01 | 4.920000000000000e-06 | -4.524999999977464e-06 | PASS |