Input 30-stress.01-independent.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Stress (11) | 6.648743525000000e-03 | 6.629854931000000e-03 | 1.120000000000000e-04 | 1.888859400000012e-05 | PASS |
| Stress (12) | 3.929132181000000e-05 | -5.944475920000000e-05 | 1.470000000000000e-04 | 9.873608101000000e-05 | PASS |
| Stress (13) | 6.483800248000000e-05 | 2.073665228500001e-05 | 1.270000000000000e-04 | 4.410135019500000e-05 | PASS |
| Stress (21) | 3.929132181000000e-05 | -5.944475920000000e-05 | 1.470000000000000e-04 | 9.873608101000000e-05 | PASS |
| Stress (22) | 6.722083007000000e-03 | 6.638527321499999e-03 | 1.110000000000000e-04 | 8.355568550000043e-05 | PASS |
| Stress (23) | -1.744024278000000e-05 | -2.114448985000000e-06 | 1.210000000000000e-04 | -1.532579379500000e-05 | PASS |
| Stress (31) | 6.483800248000000e-05 | 2.073665228500001e-05 | 1.270000000000000e-04 | 4.410135019500000e-05 | PASS |
| Stress (32) | -1.744024278000000e-05 | -2.114448985000000e-06 | 1.210000000000000e-04 | -1.532579379500000e-05 | PASS |
| Stress (33) | 6.640754639000000e-03 | 6.666820308000000e-03 | 1.320000000000000e-04 | -2.606566899999996e-05 | PASS |
| Pressure (H/b^3) | -6.670527060000000e-03 | -6.656704910000000e-03 | 4.360000000000000e-05 | -1.382214999999954e-05 | PASS |
| Pressure (GPa) | -1.962537532100000e+02 | -1.960090109700000e+02 | 1.460000000000000e+00 | -2.447422399999937e-01 | PASS |
| Kinetic stress (11) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | -7.013278847000000e-16 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671366070133e-05 | PASS |
| Kinetic stress (13) | 3.623017858000000e-14 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174318623018e-05 | PASS |
| Kinetic stress (21) | -7.013278847000000e-16 | 7.178671366000000e-05 | 1.000000000000000e-04 | -7.178671366070133e-05 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | 1.645423676000000e-13 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294715545762e-05 | PASS |
| Kinetic stress (31) | 3.623017858000000e-14 | -5.529174315000000e-05 | 1.000000000000000e-04 | 5.529174318623018e-05 | PASS |
| Kinetic stress (32) | 1.645423676000000e-13 | 6.562294731999999e-05 | 1.000000000000000e-04 | -6.562294715545762e-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) | 8.792411244000001e-15 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.460072340900000e-14 | PASS |
| Pseudopotential stress (13) | -4.802280101000000e-15 | -5.812780799999994e-16 | 3.470000000000000e-14 | -4.221002021000001e-15 | PASS |
| Pseudopotential stress (21) | 8.792411244000001e-15 | -5.808312165000000e-15 | 3.690000000000000e-14 | 1.460072340900000e-14 | PASS |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | -4.938689041000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -3.338682109000000e-14 | PASS |
| Pseudopotential stress (31) | -4.802280101000000e-15 | -8.051288476000000e-05 | 1.000000000000000e-04 | 8.051288475519771e-05 | PASS |
| Pseudopotential stress (32) | -4.938689041000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -3.338682109000000e-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) | -4.451112881000000e-19 | -4.261232943000000e-19 | 1.360000000000000e-19 | -1.898799379999995e-20 | PASS |
| Ion-ion stress (13) | 6.623349638000000e-20 | 1.081820885000000e-19 | 5.330000000000000e-20 | -4.194859212000001e-20 | PASS |
| Ion-ion stress (21) | -4.451248145000000e-19 | -4.261309377000000e-19 | 1.360000000000000e-19 | -1.899387679999999e-20 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.229906970000000e-19 | 3.016593705000000e-20 | 1.770000000000000e-19 | -1.531566340500000e-19 | PASS |
| Ion-ion stress (31) | 6.623180208000000e-20 | 1.081804141000000e-19 | 5.330000000000000e-20 | -4.194861202000001e-20 | PASS |
| Ion-ion stress (32) | -1.229906706000000e-19 | 3.015916080000000e-20 | 1.770000000000000e-19 | -1.531498314000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |