Input 30-stress.05-output_scf.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 3.649260770000000e-05 | 7.884963360000000e-04 | 8.930000000000000e-04 | -7.520037283000001e-04 | PASS |
| Pressure (GPa) | 1.073649980000000e+00 | 2.319837160000000e+01 | 2.630000000000000e+01 | -2.212472162000000e+01 | PASS |
| Stress (xx) | -3.645538537000000e-05 | -7.887080519300001e-04 | 8.930000000000000e-04 | 7.522526665600000e-04 | PASS |
| Stress (yy) | -3.642413307000000e-05 | -7.883179817000000e-04 | 8.930000000000000e-04 | 7.518938486300000e-04 | PASS |
| Stress (zz) | -3.659830464000000e-05 | -7.884629791150000e-04 | 8.930000000000000e-04 | 7.518646744750000e-04 | PASS |
| Stress (xy) | 1.567194577000000e-13 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.941516222805423e-07 | PASS |
| Stress (yx) | 1.567194577000000e-13 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.941516222805423e-07 | PASS |
| Stress (yz) | -1.886124938000000e-10 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.416028114506200e-06 | PASS |
| Stress (zy) | -1.886124938000000e-10 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.416028114506200e-06 | PASS |
| Stress (zx) | 4.576101893000000e-11 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.475131712189300e-07 | PASS |
| Stress (xz) | 4.576101893000000e-11 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.475131712189300e-07 | PASS |