Input 30-stress.03-par_kpoints.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 7.843762630000000e-04 | 7.843762630000000e-04 | 3.920000000000000e-11 | 0.000000000000000e+00 | PASS |
| Pressure (GPa) | 2.307715482000000e+01 | 2.307715482000000e+01 | 1.150000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 1.181860531000000e-02 | 1.181860531000000e-02 | 5.909999999999999e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -1.067385349000000e-07 | -1.067385349000000e-07 | 5.340000000000000e-16 | 0.000000000000000e+00 | PASS |
| Kinetic stress (13) | -5.144835965000000e-05 | -5.144835965000000e-05 | 2.570000000000000e-13 | 0.000000000000000e+00 | PASS |
| Kinetic stress (21) | -1.067385349000000e-07 | -1.067385349000000e-07 | 5.340000000000000e-16 | 0.000000000000000e+00 | PASS |
| Kinetic stress (22) | 1.326567953000000e-02 | 1.326567953000000e-02 | 6.630000000000001e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | 1.219675495000000e-04 | 1.219675495000000e-04 | 6.100000000000000e-13 | 1.355252715606881e-20 | PASS |
| Kinetic stress (31) | -5.144835965000000e-05 | -5.144835965000000e-05 | 2.570000000000000e-13 | 0.000000000000000e+00 | PASS |
| Kinetic stress (32) | 1.219675495000000e-04 | 1.219675495000000e-04 | 6.100000000000000e-13 | 1.355252715606881e-20 | PASS |
| Kinetic stress (33) | 1.316742167000000e-02 | 1.316742167000000e-02 | 1.320000000000000e-16 | -1.734723475976807e-18 | PASS |
| Hartree stress (11) | 7.577650564000000e-04 | 7.577650564000000e-04 | 3.790000000000000e-12 | 0.000000000000000e+00 | PASS |
| Hartree stress (12) | 1.320122201000000e-04 | 1.320122201000000e-04 | 6.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (13) | -9.208881814000001e-05 | -9.208881814000001e-05 | 4.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (21) | 1.320122201000000e-04 | 1.320122201000000e-04 | 6.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (22) | 9.724327690000000e-04 | 9.724327410000000e-04 | 4.860000000000000e-11 | 2.799999999653774e-11 | PASS |
| Hartree stress (23) | 1.799918595000000e-04 | 1.799918595000000e-04 | 1.800000000000000e-18 | 2.710505431213761e-20 | PASS |
| Hartree stress (31) | -9.208881814000001e-05 | -9.208881814000001e-05 | 4.600000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (32) | 1.799918595000000e-04 | 1.799918595000000e-04 | 1.800000000000000e-18 | 2.710505431213761e-20 | PASS |
| Hartree stress (33) | 8.819739528000000e-04 | 8.819739528000000e-04 | 4.410000000000000e-12 | 0.000000000000000e+00 | PASS |
| XC stress (11) | -4.919494650000000e-03 | -4.919494664000000e-03 | 2.460000000000000e-11 | 1.399999994405876e-11 | PASS |
| XC stress (12) | -1.419618416000000e-05 | -1.419618416000000e-05 | 7.100000000000000e-14 | 0.000000000000000e+00 | PASS |
| XC stress (13) | 8.311047084999999e-06 | 8.311047085000001e-06 | 4.160000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (21) | -1.419618416000000e-05 | -1.419618416000000e-05 | 7.100000000000000e-14 | 0.000000000000000e+00 | PASS |
| XC stress (22) | -4.949842699000000e-03 | -4.949842679000000e-03 | 2.470000000000000e-11 | -1.999999992008394e-11 | PASS |
| XC stress (23) | -2.466539646000000e-05 | -2.466539646000000e-05 | 1.230000000000000e-13 | 0.000000000000000e+00 | PASS |
| XC stress (31) | 8.311047084999999e-06 | 8.311047085000001e-06 | 4.160000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (32) | -2.466539646000000e-05 | -2.466539646000000e-05 | 1.230000000000000e-13 | 0.000000000000000e+00 | PASS |
| XC stress (33) | -4.934135129000000e-03 | -4.934135112000000e-03 | 2.470000000000000e-11 | -1.700000036575222e-11 | 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) | 1.674271470000000e-04 | 1.674271470000000e-04 | 8.369999999999999e-12 | 0.000000000000000e+00 | PASS |
| Stress (12) | -3.073197814000000e-04 | -3.073197814000000e-04 | 1.540000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (13) | 7.451729901000001e-05 | 7.451729901000001e-05 | 3.730000000000000e-13 | 0.000000000000000e+00 | PASS |
| Stress (21) | -3.073197814000000e-04 | -3.073197814000000e-04 | 1.540000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (22) | -1.351733256000000e-03 | -1.351733256000000e-03 | 6.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (23) | -5.513511481000000e-04 | -5.513511481000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (31) | 7.451729901000001e-05 | 7.451729901000001e-05 | 3.730000000000000e-13 | 0.000000000000000e+00 | PASS |
| Stress (32) | -5.513511481000000e-04 | -5.513511481000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (33) | -1.168822681000000e-03 | -1.168822681000000e-03 | 5.840000000000000e-12 | 0.000000000000000e+00 | PASS |