Input 30-stress.04-kpoint_sym.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 5.840000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (11) | 9.082095252000000e-02 | -7.937932116000001e-04 | 3.100000000000000e-10 | 9.161474573160000e-02 | FAIL |
| Stress (22) | 7.939445622000001e-02 | -2.402198014000000e-03 | 1.750000000000000e-10 | 8.179665423400001e-02 | FAIL |
| Stress (33) | 8.734241533000001e-02 | -2.180900577000000e-03 | 1.410000000000000e-10 | 8.952331590700001e-02 | FAIL |
| Stress (12) | 1.233638564000000e-04 | -3.125041744000000e-04 | 6.300000000000000e-11 | 4.358680308000000e-04 | FAIL |
| Stress (21) | 1.233638564000000e-04 | -3.125041744000000e-04 | 6.300000000000000e-11 | 4.358680308000000e-04 | FAIL |
| Stress (23) | -1.492144287000000e-04 | -4.141277522500000e-04 | 3.650000000000000e-10 | 2.649133235500000e-04 | FAIL |
| Stress (32) | -1.492144287000000e-04 | -4.141277522500000e-04 | 3.650000000000000e-10 | 2.649133235500000e-04 | FAIL |
| Stress (31) | -3.735169247000000e-04 | 5.993163961000000e-05 | 1.140000000000000e-10 | -4.334485643100000e-04 | FAIL |
| Stress (13) | -3.735169247000000e-04 | 5.993163961000000e-05 | 1.140000000000000e-10 | -4.334485643100000e-04 | FAIL |
| Pressure (H/b^3) | -8.585260800000000e-02 | 1.792297270000000e-03 | 8.960000000000001e-11 | -8.764490527000000e-02 | FAIL |
| Pressure (GPa) | -2.525871854410000e+03 | 5.273122537000000e+01 | 5.500000000000000e-08 | -2.578603079780000e+03 | FAIL |