Input 30-stress.05-output_scf.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | -2.762977700000000e-05 | 7.884963360000000e-04 | 8.930000000000000e-04 | -8.161261130000000e-04 | PASS |
| Pressure (GPa) | -8.128964000000000e-01 | 2.319837160000000e+01 | 2.630000000000000e+01 | -2.401126800000000e+01 | PASS |
| Stress (xx) | 2.639092431000000e-05 | -7.887080519300001e-04 | 8.930000000000000e-04 | 8.150989762400001e-04 | PASS |
| Stress (yy) | 2.871760373000000e-05 | -7.883179817000000e-04 | 8.930000000000000e-04 | 8.170355854300000e-04 | PASS |
| Stress (zz) | 2.778080303000000e-05 | -7.884629791150000e-04 | 8.930000000000000e-04 | 8.162437821449999e-04 | PASS |
| Stress (xy) | -1.753969082000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.959057480820000e-07 | PASS |
| Stress (yx) | -1.753969082000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.959057480820000e-07 | PASS |
| Stress (yz) | -6.648268231000000e-10 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.415551900176900e-06 | PASS |
| Stress (zy) | -6.648268231000000e-10 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.415551900176900e-06 | PASS |
| Stress (zx) | 3.591225052000000e-10 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.478265327052000e-07 | PASS |
| Stress (xz) | 3.591225052000000e-10 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.478265327052000e-07 | PASS |