Input 30-stress.01-independent.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
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) | -1.133156159000000e-14 | 9.312622314999999e-15 | 1.060000000000000e-13 | -2.064418390500000e-14 | PASS |
| Stress (13) | -9.658002838000000e-14 | 1.091940018000000e-14 | 1.060000000000000e-13 | -1.074994285600000e-13 | FAIL |
| Stress (21) | -1.133156157000000e-14 | 9.312622324999999e-15 | 1.060000000000000e-13 | -2.064418389500000e-14 | PASS |
| Stress (22) | -4.769687688000000e-03 | -4.769687688000000e-03 | 2.380000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (23) | -1.065136819000000e-13 | 1.536795500000000e-15 | 1.280000000000000e-13 | -1.080504774000000e-13 | PASS |
| Stress (31) | -9.658002838000000e-14 | 1.091940018000000e-14 | 1.060000000000000e-13 | -1.074994285600000e-13 | FAIL |
| Stress (32) | -1.065136819000000e-13 | 1.536795500000000e-15 | 1.280000000000000e-13 | -1.080504774000000e-13 | 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) | -4.386585539000000e-14 | 6.450867639999999e-15 | 1.090000000000000e-13 | -5.031672303000000e-14 | PASS |
| Kinetic stress (13) | 7.770495357999999e-14 | 3.159417150000000e-15 | 1.250000000000000e-13 | 7.454553642999999e-14 | PASS |
| Kinetic stress (21) | -4.386585539000000e-14 | 6.450867639999999e-15 | 1.090000000000000e-13 | -5.031672303000000e-14 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | 1.126021498000000e-13 | 3.094424110000000e-14 | 1.470000000000000e-13 | 8.165790870000000e-14 | PASS |
| Kinetic stress (31) | 7.770495357999999e-14 | 3.159417150000000e-15 | 1.250000000000000e-13 | 7.454553642999999e-14 | PASS |
| Kinetic stress (32) | 1.126021498000000e-13 | 3.094424110000000e-14 | 1.470000000000000e-13 | 8.165790870000000e-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) | 5.519790180000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 6.100621396500001e-14 | FAIL |
| Pseudopotential stress (13) | 1.887508205000000e-14 | -5.812780799999994e-16 | 3.470000000000000e-14 | 1.945636013000000e-14 | PASS |
| Pseudopotential stress (21) | 5.519790180000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | 6.100621396500001e-14 | FAIL |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | -6.088213267000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 9.911856052999998e-15 | PASS |
| Pseudopotential stress (31) | 1.887508205000000e-14 | -5.812780799999994e-16 | 3.470000000000000e-14 | 1.945636013000000e-14 | PASS |
| Pseudopotential stress (32) | -6.088213267000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 9.911856052999998e-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 |