Input 30-stress.01-independent.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Stress (11) | 6.641111311000000e-03 | 6.629854931000000e-03 | 1.120000000000000e-04 | 1.125637999999964e-05 | PASS |
| Stress (12) | -3.100484970000000e-14 | -5.944475920000000e-05 | 1.470000000000000e-04 | 5.944475916899515e-05 | PASS |
| Stress (13) | -1.279684633000000e-14 | 2.073665228500001e-05 | 1.270000000000000e-04 | -2.073665229779685e-05 | PASS |
| Stress (21) | -3.100484970000000e-14 | -5.944475920000000e-05 | 1.470000000000000e-04 | 5.944475916899515e-05 | PASS |
| Stress (22) | 6.641111311000000e-03 | 6.638527321499999e-03 | 1.110000000000000e-04 | 2.583989500000612e-06 | PASS |
| Stress (23) | -9.783686998000000e-15 | -2.114448985000000e-06 | 1.210000000000000e-04 | 2.114448975216313e-06 | PASS |
| Stress (31) | -1.279684633000000e-14 | 2.073665228500001e-05 | 1.270000000000000e-04 | -2.073665229779685e-05 | PASS |
| Stress (32) | -9.783686998000000e-15 | -2.114448985000000e-06 | 1.210000000000000e-04 | 2.114448975216313e-06 | PASS |
| Stress (33) | 6.641111311000000e-03 | 6.666820308000000e-03 | 1.320000000000000e-04 | -2.570899700000007e-05 | PASS |
| Pressure (H/b^3) | -6.641111310000000e-03 | -6.656704910000000e-03 | 4.360000000000000e-05 | 1.559359999999971e-05 | PASS |
| Pressure (GPa) | -1.953883117600000e+02 | -1.960090109700000e+02 | 1.460000000000000e+00 | 6.206992100000264e-01 | PASS |
| Kinetic stress (11) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | 1.770628089000000e-14 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671364229372e-05 | PASS |
| Kinetic stress (13) | 5.212441589000000e-15 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174315521245e-05 | PASS |
| Kinetic stress (21) | 1.770628089000000e-14 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671364229372e-05 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | 1.216234058000000e-14 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294730783766e-05 | PASS |
| Kinetic stress (31) | 5.212441589000000e-15 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174315521245e-05 | PASS |
| Kinetic stress (32) | 1.216234058000000e-14 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294730783766e-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) | 1.329911181000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.910742397500000e-14 | PASS |
| Pseudopotential stress (13) | 7.584294304000001e-15 | -5.812780799999994e-16 | 3.470000000000000e-14 | 8.165572384000000e-15 | PASS |
| Pseudopotential stress (21) | 1.329911181000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.910742397500000e-14 | PASS |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | -2.378659769000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 1.362140955100000e-14 | PASS |
| Pseudopotential stress (31) | 7.584294304000001e-15 | -8.051288476000000e-05 | 1.000000000000000e-04 | 8.051288476758429e-05 | PASS |
| Pseudopotential stress (32) | -2.378659769000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 1.362140955100000e-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) | -5.494876839000000e-19 | -4.261232943000000e-19 | 1.360000000000000e-19 | -1.233643896000000e-19 | PASS |
| Ion-ion stress (13) | 1.030767272000000e-19 | 1.081820885000000e-19 | 5.330000000000000e-20 | -5.105361300000006e-21 | PASS |
| Ion-ion stress (21) | -5.494876839000000e-19 | -4.261309377000000e-19 | 1.360000000000000e-19 | -1.233567462000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -7.770561860000000e-21 | 3.016593705000000e-20 | 1.770000000000000e-19 | -3.793649891000000e-20 | PASS |
| Ion-ion stress (31) | 1.030767272000000e-19 | 1.081804141000000e-19 | 5.330000000000000e-20 | -5.103686900000004e-21 | PASS |
| Ion-ion stress (32) | -7.770561860000000e-21 | 3.015916080000000e-20 | 1.770000000000000e-19 | -3.792972266000000e-20 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |