Input 03-xc.gga_xc_pbe1w.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_pbe1w Eigenvalue up | -9.897390000000000e-01 | -9.897790000000000e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_xc_pbe1w Eigenvalue dn | -8.639820000000000e-01 | -8.640200000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_xc_pbe1w Correlation | -3.376127100000000e-01 | -3.376165050000000e-01 | 4.160000000000000e-06 | 3.794999999973125e-06 | PASS |
| gga_xc_pbe1w Int[n*v_xc] | -4.307581300000000e-01 | -4.307628100000000e-01 | 5.130000000000000e-06 | 4.679999999979145e-06 | PASS |