Input 30-stress.01-independent.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Stress (11) | -4.769687688000000e-03 | -4.769687688000000e-03 | 2.380000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (12) | -8.678992027000001e-14 | 9.312622314999999e-15 | 1.060000000000000e-13 | -9.610254258500001e-14 | PASS |
| Stress (13) | 1.068774725000000e-13 | 1.091940018000000e-14 | 1.060000000000000e-13 | 9.595807232000001e-14 | PASS |
| Stress (21) | -8.678992025000000e-14 | 9.312622324999999e-15 | 1.060000000000000e-13 | -9.610254257499999e-14 | PASS |
| Stress (22) | -4.769687688000000e-03 | -4.769687688000000e-03 | 2.380000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (23) | 4.792250984000000e-14 | 1.536795500000000e-15 | 1.280000000000000e-13 | 4.638571434000000e-14 | PASS |
| Stress (31) | 1.068774725000000e-13 | 1.091940018000000e-14 | 1.060000000000000e-13 | 9.595807232000001e-14 | PASS |
| Stress (32) | 4.792250984000000e-14 | 1.536795500000000e-15 | 1.280000000000000e-13 | 4.638571434000000e-14 | PASS |
| Stress (33) | -4.769687688000000e-03 | -4.769687687000000e-03 | 2.380000000000000e-11 | -9.999995623233282e-13 | PASS |
| Kinetic stress (11) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | 1.013538559000000e-13 | 6.450867639999999e-15 | 1.090000000000000e-13 | 9.490298825999999e-14 | PASS |
| Kinetic stress (13) | -1.075879715000000e-13 | 3.159417150000000e-15 | 1.250000000000000e-13 | -1.107473886500000e-13 | PASS |
| Kinetic stress (21) | 1.013538559000000e-13 | 6.450867639999999e-15 | 1.090000000000000e-13 | 9.490298825999999e-14 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | -3.060923737000000e-14 | 3.094424110000000e-14 | 1.470000000000000e-13 | -6.155347846999999e-14 | PASS |
| Kinetic stress (31) | -1.075879715000000e-13 | 3.159417150000000e-15 | 1.250000000000000e-13 | -1.107473886500000e-13 | PASS |
| Kinetic stress (32) | -3.060923737000000e-14 | 3.094424110000000e-14 | 1.470000000000000e-13 | -6.155347846999999e-14 | 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-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (12) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (13) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (21) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (22) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (23) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (31) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (32) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| Hartree stress (33) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (11) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (13) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (21) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (22) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (31) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (32) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (33) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-10 | 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 | -4.262944281000001e-19 | 1.360000000000000e-19 | -1.881685999999992e-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 | -4.263020714000000e-19 | 1.360000000000000e-19 | -1.882274310000003e-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 |
| Pseudopotential stress (11) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (12) | -1.456342685000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | -8.755114685000000e-15 | PASS |
| Pseudopotential stress (13) | 7.103744676000000e-16 | -5.812780799999994e-16 | 3.470000000000000e-14 | 1.291652547599999e-15 | PASS |
| Pseudopotential stress (21) | -1.456342685000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | -8.755114685000000e-15 | PASS |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | -1.731291499000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -1.312845670000003e-15 | PASS |
| Pseudopotential stress (31) | 7.103744676000000e-16 | -5.812780799999994e-16 | 3.470000000000000e-14 | 1.291652547599999e-15 | PASS |
| Pseudopotential stress (32) | -1.731291499000000e-14 | -1.600006932000000e-14 | 3.760000000000000e-14 | -1.312845670000003e-15 | PASS |
| Pseudopotential stress (33) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pressure (H/b^3) | 4.769687690000000e-03 | 4.769687690000001e-03 | 4.770000000000000e-17 | -8.673617379884035e-19 | PASS |
| Pressure (GPa) | 1.403291077900000e+02 | 1.403291077950000e+02 | 5.500000000000000e-09 | -5.000003966415534e-09 | PASS |