Input 30-stress.02-gamma_point.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478910000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 5.999999976025183e-12 | PASS |
| Pressure (GPa) | 1.665959420000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Kinetic stress (12) | 1.221245327000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578487340327000e-15 | PASS |
| Kinetic stress (13) | 3.053113318000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544201083318002e-16 | PASS |
| Kinetic stress (21) | 1.221245327000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578487340327000e-15 | PASS |
| Kinetic stress (22) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Kinetic stress (23) | -1.054711873000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.909844776270000e-16 | PASS |
| Kinetic stress (31) | 3.053113318000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544201083318002e-16 | PASS |
| Kinetic stress (32) | -1.054711873000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.909844776270000e-16 | PASS |
| Kinetic stress (33) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Hartree stress (11) | 8.859962932000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 7.999999317512274e-13 | PASS |
| Hartree stress (12) | 1.573711952000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.573711952000000e-20 | PASS |
| Hartree stress (13) | -6.902245401999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.902245401999999e-21 | PASS |
| Hartree stress (21) | 1.573711952000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.573711952000000e-20 | PASS |
| Hartree stress (22) | 8.859962932000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 7.999999317512274e-13 | PASS |
| Hartree stress (23) | 3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.589167609000000e-21 | PASS |
| Hartree stress (31) | -6.902245401999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.902245401999999e-21 | PASS |
| Hartree stress (32) | 3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.589167609000000e-21 | PASS |
| Hartree stress (33) | 8.859962932000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 7.999999317512274e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 5.853357655000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.853357655000000e-20 | PASS |
| XC stress (13) | 5.506412959000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.506412959000000e-20 | PASS |
| XC stress (21) | 5.853357655000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.853357655000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -1.317962090000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.317962090000000e-20 | PASS |
| XC stress (31) | 5.506412959000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.506412959000000e-20 | PASS |
| XC stress (32) | -1.317962090000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.317962090000000e-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) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (13) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (21) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (31) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (32) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478911999999e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -5.599999955939461e-12 | PASS |
| Stress (12) | -1.634306480000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.693672056800002e-16 | PASS |
| Stress (13) | -1.064445481000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703249733481000e-15 | PASS |
| Stress (21) | -1.634306480000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.693672126800000e-16 | PASS |
| Stress (22) | -5.662478911999999e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -5.999999867604966e-12 | PASS |
| Stress (23) | 1.298384428000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.172700070572000e-15 | PASS |
| Stress (31) | -1.064445481000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703249733481000e-15 | PASS |
| Stress (32) | 1.298384428000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.172700070572000e-15 | PASS |
| Stress (33) | -5.662478909000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -5.800000020192431e-12 | PASS |