Input 30-stress.03-par_kpoints.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 7.843765460000000e-04 | 7.843765459999999e-04 | 3.920000000000000e-11 | 1.084202172485504e-19 | PASS |
| Pressure (GPa) | 2.307716313000000e+01 | 2.307716313000000e+01 | 1.150000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 1.181860519000000e-02 | 1.181860519000000e-02 | 5.909999999999999e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | -1.067677963000000e-07 | -1.067677948000000e-07 | 1.710000000000000e-15 | -1.500000018676130e-15 | PASS |
| Kinetic stress (13) | -5.144835062000000e-05 | -5.144835062000000e-05 | 1.100000000000000e-14 | 0.000000000000000e+00 | PASS |
| Kinetic stress (21) | -1.067677963000000e-07 | -1.067677948000000e-07 | 1.710000000000000e-15 | -1.500000018676130e-15 | PASS |
| Kinetic stress (22) | 1.326567937000000e-02 | 1.326567937000000e-02 | 6.630000000000001e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | 1.219673883000000e-04 | 1.219673883000000e-04 | 6.100000000000000e-13 | 1.355252715606881e-20 | PASS |
| Kinetic stress (31) | -5.144835062000000e-05 | -5.144835062000000e-05 | 1.100000000000000e-14 | 0.000000000000000e+00 | PASS |
| Kinetic stress (32) | 1.219673883000000e-04 | 1.219673883000000e-04 | 6.100000000000000e-13 | 1.355252715606881e-20 | PASS |
| Kinetic stress (33) | 1.316742146000000e-02 | 1.316742146000000e-02 | 6.580000000000000e-11 | -1.734723475976807e-18 | PASS |
| Hartree stress (11) | 7.577650284000000e-04 | 7.577650284000001e-04 | 3.790000000000000e-12 | -1.084202172485504e-19 | PASS |
| Hartree stress (12) | 1.320122246000000e-04 | 1.320122246000000e-04 | 6.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (13) | -9.208879945999999e-05 | -9.208879946000001e-05 | 4.600000000000000e-13 | 1.355252715606881e-20 | PASS |
| Hartree stress (21) | 1.320122246000000e-04 | 1.320122246000000e-04 | 6.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (22) | 9.724327410000000e-04 | 9.724327410000000e-04 | 4.860000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (23) | 1.799918736000000e-04 | 1.799918736000000e-04 | 9.000000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (31) | -9.208879945999999e-05 | -9.208879946000001e-05 | 4.600000000000000e-13 | 1.355252715606881e-20 | PASS |
| Hartree stress (32) | 1.799918736000000e-04 | 1.799918736000000e-04 | 9.000000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (33) | 8.819739300000000e-04 | 8.819739300000000e-04 | 8.819999999999999e-18 | 0.000000000000000e+00 | PASS |
| XC stress (11) | -4.919494645000000e-03 | -4.919494664000000e-03 | 2.460000000000000e-11 | 1.899999949039888e-11 | PASS |
| XC stress (12) | -1.419618297000000e-05 | -1.419618297000000e-05 | 7.100000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (13) | 8.311044163000001e-06 | 8.311044163000001e-06 | 4.160000000000000e-14 | 0.000000000000000e+00 | PASS |
| XC stress (21) | -1.419618297000000e-05 | -1.419618297000000e-05 | 7.100000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (22) | -4.949842679000000e-03 | -4.949842679000000e-03 | 2.470000000000000e-11 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -2.466539150000000e-05 | -2.466539150000000e-05 | 1.230000000000000e-12 | 3.388131789017201e-21 | PASS |
| XC stress (31) | 8.311044163000001e-06 | 8.311044163000001e-06 | 4.160000000000000e-14 | 0.000000000000000e+00 | PASS |
| XC stress (32) | -2.466539150000000e-05 | -2.466539150000000e-05 | 1.230000000000000e-12 | 3.388131789017201e-21 | PASS |
| XC stress (33) | -4.934135112000000e-03 | -4.934135112000000e-03 | 2.470000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (11) | -1.649667662000000e-02 | -1.649667662000000e-02 | 8.250000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | 1.129036311000000e-03 | 1.129036311000000e-03 | 5.650000000000000e-12 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (13) | -5.340350017000000e-04 | -5.340350016999999e-04 | 2.670000000000000e-12 | -1.084202172485504e-19 | PASS |
| Ion-ion stress (21) | 1.129036311000000e-03 | 1.129036311000000e-03 | 5.650000000000000e-12 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (22) | -1.537087689000000e-02 | -1.537087689000000e-02 | 7.690000000000000e-16 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 1.722698484000000e-03 | 1.722698484000000e-03 | 8.610000000000000e-12 | -2.168404344971009e-19 | PASS |
| Ion-ion stress (31) | -5.340350017000000e-04 | -5.340350016999999e-04 | 2.670000000000000e-12 | -1.084202172485504e-19 | PASS |
| Ion-ion stress (32) | 1.722698484000000e-03 | 1.722698484000000e-03 | 8.610000000000000e-12 | -2.168404344971009e-19 | PASS |
| Ion-ion stress (33) | -1.588156233000000e-02 | -1.588156233000000e-02 | 7.940000000000000e-11 | -3.469446951953614e-18 | PASS |
| Stress (11) | 1.674269190000000e-04 | 1.674269190000000e-04 | 1.670000000000000e-18 | -2.710505431213761e-20 | PASS |
| Stress (12) | -3.073197394000000e-04 | -3.073197394000000e-04 | 1.540000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (13) | 7.451734414999999e-05 | 7.451734416000000e-05 | 3.730000000000000e-13 | -1.000000321264849e-14 | PASS |
| Stress (21) | -3.073197394000000e-04 | -3.073197394000000e-04 | 1.540000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (22) | -1.351733617000000e-03 | -1.351733617000000e-03 | 6.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (23) | -5.513510452000000e-04 | -5.513510452000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (31) | 7.451734414999999e-05 | 7.451734416000000e-05 | 3.730000000000000e-13 | -1.000000321264849e-14 | PASS |
| Stress (32) | -5.513510452000000e-04 | -5.513510452000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (33) | -1.168822940000000e-03 | -1.168822940000000e-03 | 5.840000000000000e-11 | 0.000000000000000e+00 | PASS |