Input 30-stress.05-output_scf.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | -2.998396230000000e-06 | 7.884963360000000e-04 | 8.930000000000000e-04 | -7.914947322300001e-04 | PASS |
| Pressure (GPa) | -8.821589000000001e-02 | 2.319837160000000e+01 | 2.630000000000000e+01 | -2.328658749000000e+01 | PASS |
| Stress (xx) | 2.763562543000000e-06 | -7.887080519300001e-04 | 8.930000000000000e-04 | 7.914716144730000e-04 | PASS |
| Stress (yy) | 3.116153722000000e-06 | -7.883179817000000e-04 | 8.930000000000000e-04 | 7.914341354220000e-04 | PASS |
| Stress (zz) | 3.115472410000000e-06 | -7.884629791150000e-04 | 8.930000000000000e-04 | 7.915784515250000e-04 | PASS |
| Stress (xy) | -9.500740195000000e-11 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.942467864019500e-07 | PASS |
| Stress (yx) | -9.500740195000000e-11 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.942467864019500e-07 | PASS |
| Stress (yz) | 4.395721863000000e-08 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.460173945630000e-06 | PASS |
| Stress (zy) | 4.395721863000000e-08 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.460173945630000e-06 | PASS |
| Stress (zx) | -5.258059698000000e-11 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.474148296030200e-07 | PASS |
| Stress (xz) | -5.258059698000000e-11 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.474148296030200e-07 | PASS |