Input 30-stress.01-independent.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Stress (11) | nan | 6.629854931000000e-03 | 1.120000000000000e-04 | nan | FAIL |
| Stress (12) | nan | -5.944475920000000e-05 | 1.470000000000000e-04 | nan | FAIL |
| Stress (13) | nan | 2.073665228500001e-05 | 1.270000000000000e-04 | nan | FAIL |
| Stress (21) | nan | -5.944475920000000e-05 | 1.470000000000000e-04 | nan | FAIL |
| Stress (22) | nan | 6.638527321499999e-03 | 1.110000000000000e-04 | nan | FAIL |
| Stress (23) | nan | -2.114448985000000e-06 | 1.210000000000000e-04 | nan | FAIL |
| Stress (31) | nan | 2.073665228500001e-05 | 1.270000000000000e-04 | nan | FAIL |
| Stress (32) | nan | -2.114448985000000e-06 | 1.210000000000000e-04 | nan | FAIL |
| Stress (33) | 6.690518561000000e-03 | 6.666820308000000e-03 | 1.320000000000000e-04 | 2.369825300000024e-05 | PASS |
| Pressure (H/b^3) | nan | -6.656704910000000e-03 | 4.360000000000000e-05 | nan | FAIL |
| Pressure (GPa) | nan | -1.960090109700000e+02 | 1.460000000000000e+00 | nan | FAIL |
| Kinetic stress (11) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | -2.311403846000000e-14 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671368311404e-05 | PASS |
| Kinetic stress (13) | -2.945527156000000e-14 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174312054473e-05 | PASS |
| Kinetic stress (21) | -2.311403846000000e-14 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671368311404e-05 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | 8.276331703000000e-14 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294723723668e-05 | PASS |
| Kinetic stress (31) | -2.945527156000000e-14 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174312054473e-05 | PASS |
| Kinetic stress (32) | 8.276331703000000e-14 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294723723668e-05 | PASS |
| Kinetic stress (33) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Hartree stress (11) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (12) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (13) | 0.000000000000000e+00 | -6.586250444000000e-05 | 1.000000000000000e-04 | 6.586250444000000e-05 | PASS |
| Hartree stress (21) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (22) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (23) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (31) | 0.000000000000000e+00 | -6.586250444000000e-05 | 1.000000000000000e-04 | 6.586250444000000e-05 | PASS |
| Hartree stress (32) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Hartree stress (33) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (11) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (13) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (21) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (22) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (31) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (32) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| XC stress (33) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (11) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (12) | 1.235277852000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.816109068500000e-14 | PASS |
| Pseudopotential stress (13) | 1.317246312000000e-14 | -5.812780799999994e-16 | 3.470000000000000e-14 | 1.375374120000000e-14 | PASS |
| Pseudopotential stress (21) | 1.235277852000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.816109068500000e-14 | PASS |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | -5.021667804000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -3.421660872000000e-14 | PASS |
| Pseudopotential stress (31) | 1.317246312000000e-14 | -8.051288476000000e-05 | 1.000000000000000e-04 | 8.051288477317246e-05 | PASS |
| Pseudopotential stress (32) | -5.021667804000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -3.421660872000000e-14 | PASS |
| Pseudopotential stress (33) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (11) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | -4.559343973000000e-19 | -4.261232943000000e-19 | 1.360000000000000e-19 | -2.981110299999997e-20 | PASS |
| Ion-ion stress (13) | 5.974689174000000e-20 | 1.081820885000000e-19 | 5.330000000000000e-20 | -4.843519676000001e-20 | PASS |
| Ion-ion stress (21) | -4.559479503000000e-19 | -4.261309377000000e-19 | 1.360000000000000e-19 | -2.981701259999993e-20 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.303989486000000e-19 | 3.016593705000000e-20 | 1.770000000000000e-19 | -1.605648856500000e-19 | PASS |
| Ion-ion stress (31) | 5.974520406000000e-20 | 1.081804141000000e-19 | 5.330000000000000e-20 | -4.843521004000000e-20 | PASS |
| Ion-ion stress (32) | -1.303989023000000e-19 | 3.015916080000000e-20 | 1.770000000000000e-19 | -1.605580631000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |