Input 30-stress.05-output_scf.inp
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.137490340000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.489940040000000e-04 | PASS |
| Pressure (GPa) | 3.346613332000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 1.026776172000000e+01 | PASS |
| Stress (xx) | -1.137462015000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.487539630700000e-04 | PASS |
| Stress (yy) | -1.137512926000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.491949443000000e-04 | PASS |
| Stress (zz) | -1.137496069000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.490330898849999e-04 | PASS |
| Stress (xy) | 3.104755040000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.910470239600000e-07 | PASS |
| Stress (yx) | 3.104755040000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.910470239600000e-07 | PASS |
| Stress (yz) | 1.327499679000000e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.636246088790001e-06 | PASS |
| Stress (zy) | 1.327499679000000e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.636246088790001e-06 | PASS |
| Stress (zx) | 5.461892966000000e-09 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.758029122034000e-06 | PASS |
| Stress (xz) | 5.461892966000000e-09 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.758029122034000e-06 | PASS |