Input 30-stress.02-gamma_point.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478880000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | -1.999999992008394e-12 | PASS |
| Pressure (GPa) | 1.665959412000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -2.220446049000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577044050395100e-15 | PASS |
| Kinetic stress (13) | -6.661338148000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925462814814800e-15 | PASS |
| Kinetic stress (21) | -2.220446049000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577044050395100e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | 1.110223025000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.083222896025000e-16 | PASS |
| Kinetic stress (31) | -6.661338148000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925462814814800e-15 | PASS |
| Kinetic stress (32) | 1.110223025000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.083222896025000e-16 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (12) | 2.688569906000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.688569906000000e-19 | PASS |
| Hartree stress (13) | 1.133319355000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.133319355000000e-22 | PASS |
| Hartree stress (21) | 2.688569906000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.688569906000000e-19 | PASS |
| Hartree stress (22) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (23) | -6.933989704000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.933989704000000e-21 | PASS |
| Hartree stress (31) | 1.133319355000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.133319355000000e-22 | PASS |
| Hartree stress (32) | -6.933989704000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.933989704000000e-21 | PASS |
| Hartree stress (33) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -1.659373361000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.659373361000000e-20 | PASS |
| XC stress (13) | -1.832845709000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.832845709000000e-20 | PASS |
| XC stress (21) | -1.659373361000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.659373361000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -5.651173918000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.651173918000000e-22 | PASS |
| XC stress (31) | -1.832845709000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.832845709000000e-20 | PASS |
| XC stress (32) | -5.651173918000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.651173918000000e-22 | PASS |
| XC stress (33) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-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 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451112881000000e-19 | PASS |
| Ion-ion stress (13) | 6.623349638000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623349638000000e-20 | PASS |
| Ion-ion stress (21) | -4.451248145000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451248145000000e-19 | 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 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906970000000e-19 | PASS |
| Ion-ion stress (31) | 6.623180208000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623180208000000e-20 | PASS |
| Ion-ion stress (32) | -1.229906706000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906706000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478881000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 1.800000036175642e-12 | PASS |
| Stress (12) | 8.567516821000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.668761475179002e-16 | PASS |
| Stress (13) | 7.032500243000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.454077688024300e-15 | PASS |
| Stress (21) | 8.567652086000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.668761409913999e-16 | PASS |
| Stress (22) | -5.662478886000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 1.349999972921623e-12 | PASS |
| Stress (23) | 4.727486790000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393897768321000e-15 | PASS |
| Stress (31) | 7.032517185000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.454077687718499e-15 | PASS |
| Stress (32) | 4.727486526000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393897768347400e-15 | PASS |
| Stress (33) | -5.662478886000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 1.550000037174593e-12 | PASS |