Input 30-stress.05-output_scf.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.135733070000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.472367340000000e-04 | PASS |
| Pressure (GPa) | 3.341443269000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 1.021606109000000e+01 | PASS |
| Stress (xx) | -1.135666377000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.469583250700000e-04 | PASS |
| Stress (yy) | -1.135884583000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.475666013000000e-04 | PASS |
| Stress (zz) | -1.135648245000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.471852658850001e-04 | PASS |
| Stress (xy) | -9.977225102000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -4.041290041020000e-07 | PASS |
| Stress (yx) | -9.977225102000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -4.041290041020000e-07 | PASS |
| Stress (yz) | -5.773215032000000e-09 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.617197876968000e-06 | PASS |
| Stress (zy) | -5.773215032000000e-09 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.617197876968000e-06 | PASS |
| Stress (zx) | -6.367595678000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.827166971780001e-06 | PASS |
| Stress (xz) | -6.367595678000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.827166971780001e-06 | PASS |