Input 30-stress.05-output_scf.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.017339930000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 2.288435940000001e-04 | PASS |
| Pressure (GPa) | 2.993118507000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 6.732813470000000e+00 | PASS |
| Stress (xx) | -1.017250210000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -2.285421580699999e-04 | PASS |
| Stress (yy) | -1.017286884000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -2.289689023000000e-04 | PASS |
| Stress (zz) | -1.017482701000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -2.290197218849999e-04 | PASS |
| Stress (xy) | 9.811330668000001e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.843404483320000e-07 | PASS |
| Stress (yx) | 9.811330668000001e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.843404483320000e-07 | PASS |
| Stress (yz) | 3.572103994000000e-08 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.451937766940000e-06 | PASS |
| Stress (zy) | 3.572103994000000e-08 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.451937766940000e-06 | PASS |
| Stress (zx) | -1.001404402000000e-08 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.374533661800001e-07 | PASS |
| Stress (xz) | -1.001404402000000e-08 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.374533661800001e-07 | PASS |