Input 30-stress.02-gamma_point.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478940000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 8.999999964037775e-12 | PASS |
| Pressure (GPa) | 1.665959430000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 9.999999761589606e-08 | PASS |
| Kinetic stress (11) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (12) | -5.828670879000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576683227912100e-15 | PASS |
| Kinetic stress (13) | 3.053113318000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544201083318002e-16 | PASS |
| Kinetic stress (21) | -5.828670879000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576683227912100e-15 | PASS |
| Kinetic stress (22) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (23) | -6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913730556852000e-16 | PASS |
| Kinetic stress (31) | 3.053113318000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544201083318002e-16 | PASS |
| Kinetic stress (32) | -6.661338148000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913730556852000e-16 | PASS |
| Kinetic stress (33) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Hartree stress (11) | 8.859962941000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.699999949839048e-12 | PASS |
| Hartree stress (12) | 9.916674744000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.916674744000000e-21 | PASS |
| Hartree stress (13) | 1.960940341000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.960940341000000e-20 | PASS |
| Hartree stress (21) | 9.916674744000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.916674744000000e-21 | PASS |
| Hartree stress (22) | 8.859962941000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.699999949839048e-12 | PASS |
| Hartree stress (23) | 1.051210966000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.051210966000000e-20 | PASS |
| Hartree stress (31) | 1.960940341000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.960940341000000e-20 | PASS |
| Hartree stress (32) | 1.051210966000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.051210966000000e-20 | PASS |
| Hartree stress (33) | 8.859962941000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.699999949839048e-12 | PASS |
| XC stress (11) | -3.734425481000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | -9.999999960041972e-13 | PASS |
| XC stress (12) | 5.208970537000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.208970537000000e-20 | PASS |
| XC stress (13) | -4.288807598000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.288807598000000e-21 | PASS |
| XC stress (21) | 5.208970537000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.208970537000000e-20 | PASS |
| XC stress (22) | -3.734425481000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | -9.999999960041972e-13 | PASS |
| XC stress (23) | -4.080013977000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.080013977000000e-21 | PASS |
| XC stress (31) | -4.288807598000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.288807598000000e-21 | PASS |
| XC stress (32) | -4.080013977000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.080013977000000e-21 | PASS |
| XC stress (33) | -3.734425481000000e-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) | -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) | -5.662478943000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -8.700000030288646e-12 | PASS |
| Stress (12) | 9.743020353000001e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.667585971647000e-16 | PASS |
| Stress (13) | -5.230632887000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702708351288700e-15 | PASS |
| Stress (21) | 9.743155618000001e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.667585906381999e-16 | PASS |
| Stress (22) | -5.662478944000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -9.199999919870527e-12 | PASS |
| Stress (23) | 8.402099482000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173158245051800e-15 | PASS |
| Stress (31) | -5.230615944000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702708349594400e-15 | PASS |
| Stress (32) | 8.402099218000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173158245078200e-15 | PASS |
| Stress (33) | -5.662478946000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -9.499999962039873e-12 | PASS |