Input 30-stress.02-gamma_point.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 0.000000000000000e+00 | PASS |
| Pressure (GPa) | 1.665959416000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -3.999999975690116e-08 | PASS |
| Kinetic stress (11) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | -7.216449660000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576544450034000e-15 | PASS |
| Kinetic stress (13) | -6.106226635000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925407303663500e-15 | PASS |
| Kinetic stress (21) | -7.216449660000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576544450034000e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | -4.996003611000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.077116669389000e-16 | PASS |
| Kinetic stress (31) | -6.106226635000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925407303663500e-15 | PASS |
| Kinetic stress (32) | -4.996003611000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.077116669389000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| Hartree stress (12) | 3.340686775000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.340686775000000e-20 | PASS |
| Hartree stress (13) | -2.898943069000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.898943069000000e-20 | PASS |
| Hartree stress (21) | 3.340686775000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.340686775000000e-20 | PASS |
| Hartree stress (22) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| Hartree stress (23) | 1.987846676000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.987846676000000e-20 | PASS |
| Hartree stress (31) | -2.898943069000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.898943069000000e-20 | PASS |
| Hartree stress (32) | 1.987846676000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.987846676000000e-20 | PASS |
| Hartree stress (33) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | 4.687056814000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.687056814000000e-21 | PASS |
| XC stress (13) | 7.060654890000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.060654890000000e-20 | PASS |
| XC stress (21) | 4.687056814000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.687056814000000e-21 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | -5.963323707000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.963323707000000e-20 | PASS |
| XC stress (31) | 7.060654890000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.060654890000000e-20 | PASS |
| XC stress (32) | -5.963323707000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.963323707000000e-20 | PASS |
| XC stress (33) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| Ion-ion stress (11) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | -3.027589048000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.027589048000000e-19 | PASS |
| Ion-ion stress (13) | 1.566172853000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.566172853000000e-19 | PASS |
| Ion-ion stress (21) | -3.027741915000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.027741915000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 1.907308227000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.907308227000000e-19 | PASS |
| Ion-ion stress (31) | 1.566156241000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.566156241000000e-19 | PASS |
| Ion-ion stress (32) | 1.907172239000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.907172239000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478893000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 5.999999759184749e-13 | PASS |
| Stress (12) | 1.265682119000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.664672170810001e-16 | PASS |
| Stress (13) | 2.706770725000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453645115072500e-15 | PASS |
| Stress (21) | 1.265697405000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.664672087950000e-16 | PASS |
| Stress (22) | -5.662478893000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 6.499999106665544e-13 | PASS |
| Stress (23) | 5.935194702000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393776997529800e-15 | PASS |
| Stress (31) | 2.706787337000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453645114733700e-15 | PASS |
| Stress (32) | 5.935330690000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393776983931000e-15 | PASS |
| Stress (33) | -5.662478901000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 5.000004316829676e-14 | PASS |