Input 30-stress.02-gamma_point.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478890000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959414000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -6.000000141170858e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | 4.440892099000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577710184209900e-15 | PASS |
| Kinetic stress (13) | -1.110223025000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540037746975001e-16 | PASS |
| Kinetic stress (21) | 4.440892099000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577710184209900e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913730556852000e-16 | PASS |
| Kinetic stress (31) | -1.110223025000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540037746975001e-16 | PASS |
| Kinetic stress (32) | -6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913730556852000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| Hartree stress (12) | -5.223619321000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.223619321000000e-19 | PASS |
| Hartree stress (13) | 1.932628713000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.932628713000000e-20 | PASS |
| Hartree stress (21) | -5.223619321000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.223619321000000e-19 | PASS |
| Hartree stress (22) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| Hartree stress (23) | -1.463276025000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.463276025000000e-20 | PASS |
| Hartree stress (31) | 1.932628713000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.932628713000000e-20 | PASS |
| Hartree stress (32) | -1.463276025000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.463276025000000e-20 | PASS |
| Hartree stress (33) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -4.234571813000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.234571813000000e-20 | PASS |
| XC stress (13) | -1.372278078000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.372278078000000e-20 | PASS |
| XC stress (21) | -4.234571813000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.234571813000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 2.700256333000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.700256333000000e-20 | PASS |
| XC stress (31) | -1.372278078000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.372278078000000e-20 | PASS |
| XC stress (32) | 2.700256333000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.700256333000000e-20 | 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) | -4.559343973000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.559343973000000e-19 | PASS |
| Ion-ion stress (13) | 5.974689174000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.974689174000000e-20 | PASS |
| Ion-ion stress (21) | -4.559479503000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.559479503000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.303989486000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.303989486000000e-19 | PASS |
| Ion-ion stress (31) | 5.974520406000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.974520406000000e-20 | PASS |
| Ion-ion stress (32) | -1.303989023000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.303989023000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478890000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.400000008098314e-12 | PASS |
| Stress (12) | -6.745413552000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.684074405552001e-16 | PASS |
| Stress (13) | 1.190660503000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702066221949700e-15 | PASS |
| Stress (21) | -6.745278023000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.684074340023000e-16 | PASS |
| Stress (22) | -5.662478894000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -4.199999939849541e-12 | PASS |
| Stress (23) | 9.947397176000001e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173003715282400e-15 | PASS |
| Stress (31) | 1.190677380000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702066220262000e-15 | PASS |
| Stress (32) | 9.947396713000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173003715328700e-15 | PASS |
| Stress (33) | -5.662478888000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -3.700000050267660e-12 | PASS |