Input 30-stress.05-output_scf.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 2.405296460000000e-05 | 7.884963360000000e-04 | 8.930000000000000e-04 | -7.644433714000000e-04 | PASS |
| Pressure (GPa) | 7.076629100000000e-01 | 2.319837160000000e+01 | 2.630000000000000e+01 | -2.249070869000000e+01 | PASS |
| Stress (xx) | -2.405380635000000e-05 | -7.887080519300001e-04 | 8.930000000000000e-04 | 7.646542455800000e-04 | PASS |
| Stress (yy) | -2.401230697000000e-05 | -7.883179817000000e-04 | 8.930000000000000e-04 | 7.643056747300000e-04 | PASS |
| Stress (zz) | -2.409278053000000e-05 | -7.884629791150000e-04 | 8.930000000000000e-04 | 7.643701985850000e-04 | PASS |
| Stress (xy) | 3.104308713000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.910474702869999e-07 | PASS |
| Stress (yx) | 3.104308713000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.910474702869999e-07 | PASS |
| Stress (yz) | -8.765530163000000e-10 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.622094538983701e-06 | PASS |
| Stress (zy) | -8.765530163000000e-10 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.622094538983701e-06 | PASS |
| Stress (zx) | 1.129643924000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.752194575760000e-06 | PASS |
| Stress (xz) | 1.129643924000000e-08 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.752194575760000e-06 | PASS |