Input 30-stress.05-output_scf.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.150504450000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.620081140000000e-04 | PASS |
| Pressure (GPa) | 3.384902186000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 1.065065026000000e+01 | PASS |
| Stress (xx) | -1.150501799000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.617937470699999e-04 | PASS |
| Stress (yy) | -1.150547257000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.622292753000001e-04 | PASS |
| Stress (zz) | -1.150464290000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.620013108850001e-04 | PASS |
| Stress (xy) | 5.980477695000000e-08 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.343470020500000e-07 | PASS |
| Stress (yx) | 5.980477695000000e-08 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.343470020500000e-07 | PASS |
| Stress (yz) | 7.635288115000001e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.699323973150000e-06 | PASS |
| Stress (zy) | 7.635288115000001e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.699323973150000e-06 | PASS |
| Stress (zx) | -8.157966726000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.845070682260000e-06 | PASS |
| Stress (xz) | -8.157966726000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.845070682260000e-06 | PASS |