Input 30-stress.01-independent.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Stress (11) | -4.769687688000000e-03 | -4.769687688000000e-03 | 2.380000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (12) | 1.054151649000000e-13 | 9.312622314999999e-15 | 1.060000000000000e-13 | 9.610254258500001e-14 | PASS |
| Stress (13) | 5.152724169000000e-14 | 1.091940018000000e-14 | 1.060000000000000e-13 | 4.060784151000000e-14 | PASS |
| Stress (21) | 1.054151649000000e-13 | 9.312622324999999e-15 | 1.060000000000000e-13 | 9.610254257500001e-14 | PASS |
| Stress (22) | -4.769687688000000e-03 | -4.769687688000000e-03 | 2.380000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (23) | -9.172368247000000e-14 | 1.536795500000000e-15 | 1.280000000000000e-13 | -9.326047797000000e-14 | PASS |
| Stress (31) | 5.152724169000000e-14 | 1.091940018000000e-14 | 1.060000000000000e-13 | 4.060784151000000e-14 | PASS |
| Stress (32) | -9.172368247000000e-14 | 1.536795500000000e-15 | 1.280000000000000e-13 | -9.326047797000000e-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) | -9.251527322000000e-14 | 6.450867639999999e-15 | 1.090000000000000e-13 | -9.896614086000000e-14 | PASS |
| Kinetic stress (13) | -2.279829103000000e-14 | 3.159417150000000e-15 | 1.250000000000000e-13 | -2.595770818000000e-14 | PASS |
| Kinetic stress (21) | -9.251527322000000e-14 | 6.450867639999999e-15 | 1.090000000000000e-13 | -9.896614086000000e-14 | PASS |
| Kinetic stress (22) | 1.050163768000000e-02 | 1.050163768000000e-02 | 5.250000000000000e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (23) | 8.652717431000000e-14 | 3.094424110000000e-14 | 1.470000000000000e-13 | 5.558293321000000e-14 | PASS |
| Kinetic stress (31) | -2.279829103000000e-14 | 3.159417150000000e-15 | 1.250000000000000e-13 | -2.595770818000000e-14 | PASS |
| Kinetic stress (32) | 8.652717431000000e-14 | 3.094424110000000e-14 | 1.470000000000000e-13 | 5.558293321000000e-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) | -5.387728891000000e-19 | -4.262944281000001e-19 | 1.360000000000000e-19 | -1.124784609999999e-19 | PASS |
| Ion-ion stress (13) | 1.094548984000000e-19 | 1.081820885000000e-19 | 5.330000000000000e-20 | 1.272809899999995e-21 | PASS |
| Ion-ion stress (21) | -5.387728891000000e-19 | -4.263020714000000e-19 | 1.360000000000000e-19 | -1.124708177000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -4.706841641000000e-22 | 3.016593705000000e-20 | 1.770000000000000e-19 | -3.063662121410000e-20 | PASS |
| Ion-ion stress (31) | 1.094548984000000e-19 | 1.081804141000000e-19 | 5.330000000000000e-20 | 1.274484299999996e-21 | PASS |
| Ion-ion stress (32) | -4.706841641000000e-22 | 3.015916080000000e-20 | 1.770000000000000e-19 | -3.062984496410000e-20 | 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) | -1.289898743000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | -7.090675265000000e-15 | PASS |
| Pseudopotential stress (13) | -2.872931060000000e-14 | -5.812780799999994e-16 | 3.470000000000000e-14 | -2.814803252000000e-14 | PASS |
| Pseudopotential stress (21) | -1.289898743000000e-14 | -5.808312165000000e-15 | 3.690000000000000e-14 | -7.090675265000000e-15 | PASS |
| Pseudopotential stress (22) | 7.465789711000000e-03 | 7.465789711000000e-03 | 7.470000000000000e-17 | 0.000000000000000e+00 | PASS |
| Pseudopotential stress (23) | 5.196537645000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 2.119660696500000e-14 | PASS |
| Pseudopotential stress (31) | -2.872931060000000e-14 | -5.812780799999994e-16 | 3.470000000000000e-14 | -2.814803252000000e-14 | PASS |
| Pseudopotential stress (32) | 5.196537645000000e-15 | -1.600006932000000e-14 | 3.760000000000000e-14 | 2.119660696500000e-14 | 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) | 1.403291078000000e+02 | 1.403291077950000e+02 | 5.500000000000000e-09 | 5.000003966415534e-09 | PASS |