Input 30-stress.05-output_scf.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 1.131990810000000e-03 | 7.884963360000000e-04 | 8.930000000000000e-04 | 3.434944740000000e-04 | PASS |
| Pressure (GPa) | 3.330433148000000e+01 | 2.319837160000000e+01 | 2.630000000000000e+01 | 1.010595988000000e+01 | PASS |
| Stress (xx) | -1.131996972000000e-03 | -7.887080519300001e-04 | 8.930000000000000e-04 | -3.432889200699999e-04 | PASS |
| Stress (yy) | -1.131978952000000e-03 | -7.883179817000000e-04 | 8.930000000000000e-04 | -3.436609702999999e-04 | PASS |
| Stress (zz) | -1.131996494000000e-03 | -7.884629791150000e-04 | 8.930000000000000e-04 | -3.435335148850001e-04 | PASS |
| Stress (xy) | 1.631027388000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.925207516120000e-07 | PASS |
| Stress (yx) | 1.631027388000000e-09 | 3.941517790000000e-07 | 3.250000000000000e-06 | -3.925207516120000e-07 | PASS |
| Stress (yz) | -1.421958914000000e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.608751502860000e-06 | PASS |
| Stress (zy) | -1.421958914000000e-08 | -4.622971092000000e-06 | 7.430000000000000e-06 | 4.608751502860000e-06 | PASS |
| Stress (zx) | -2.583654961000000e-09 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.766074669961000e-06 | PASS |
| Stress (xz) | -2.583654961000000e-09 | 3.763491015000000e-06 | 5.450000000000000e-06 | -3.766074669961000e-06 | PASS |