Input 30-stress.02-gamma_point.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 4.999999980020986e-12 | 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) | -1.110223025000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576155871975000e-15 | PASS |
| Kinetic stress (13) | -5.551115123000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540592858487701e-16 | PASS |
| Kinetic stress (21) | -1.110223025000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576155871975000e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | 6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.927053233148000e-16 | PASS |
| Kinetic stress (31) | -5.551115123000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540592858487701e-16 | PASS |
| Kinetic stress (32) | 6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.927053233148000e-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) | -1.079511181000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.079511181000000e-19 | PASS |
| Hartree stress (13) | 2.484808345000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-21 | PASS |
| Hartree stress (21) | -1.079511181000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.079511181000000e-19 | PASS |
| Hartree stress (22) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| Hartree stress (23) | -2.208718529000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.208718529000000e-21 | PASS |
| Hartree stress (31) | 2.484808345000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-21 | PASS |
| Hartree stress (32) | -2.208718529000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.208718529000000e-21 | 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) | 3.485328820000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.485328820000000e-21 | PASS |
| XC stress (13) | 3.485328820000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.485328820000000e-21 | PASS |
| XC stress (21) | 3.485328820000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.485328820000000e-21 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 3.059715940000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.059715940000000e-20 | PASS |
| XC stress (31) | 3.485328820000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.485328820000000e-21 | PASS |
| XC stress (32) | 3.059715940000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.059715940000000e-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 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.700000050267660e-12 | PASS |
| Stress (12) | 1.570230784000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.661626684160001e-16 | PASS |
| Stress (13) | 1.021653623000000e-20 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702175071463770e-15 | PASS |
| Stress (21) | 1.570246070000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.661626601300000e-16 | PASS |
| Stress (22) | -5.662478893000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -4.099999961933165e-12 | PASS |
| Stress (23) | -1.297964553000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175296419553000e-15 | PASS |
| Stress (31) | 1.021819746000000e-20 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702175069802540e-15 | PASS |
| Stress (32) | -1.297950954000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175296405954000e-15 | PASS |
| Stress (33) | -5.662478902000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -5.099999957937362e-12 | PASS |