Input 30-stress.05-output_scf.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.143204770000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.547084340000000e-04 | PASS |
| Pressure (GPa) | 3.363425782000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 1.043588622000000e+01 | PASS |
| Stress (xx) | -1.143192630000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.544845780699999e-04 | PASS |
| Stress (yy) | -1.143199962000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.548819803000000e-04 | PASS |
| Stress (zz) | -1.143221719000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.547587398850000e-04 | PASS |
| Stress (xy) | -2.935529169000000e-12 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.941547145291690e-07 | PASS |
| Stress (yx) | -2.935529169000000e-12 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.941547145291690e-07 | PASS |
| Stress (yz) | 1.968709335000000e-09 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.418185436335000e-06 | PASS |
| Stress (zy) | 1.968709336000000e-09 | -5.416216727000000e-06 | 6.550000000000000e-06 | 5.418185436336000e-06 | PASS |
| Stress (zx) | 1.549440419000000e-12 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.474689596404190e-07 | PASS |
| Stress (xz) | 1.549440419000000e-12 | -9.474674102000000e-07 | 1.040000000000000e-06 | 9.474689596404190e-07 | PASS |