Input 30-stress.02-gamma_point.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478870000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 1.999999992008394e-12 | PASS |
| Pressure (GPa) | 1.665959407000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.300000000981072e-07 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -5.870832791000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.571395262209000e-15 | PASS |
| Kinetic stress (13) | 1.272469448000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126584245000000e-15 | PASS |
| Kinetic stress (21) | -5.870832791000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.571395262209000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | 5.453728289000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.945767478500001e-15 | PASS |
| Kinetic stress (31) | 1.272469448000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126584245000000e-15 | PASS |
| Kinetic stress (32) | 5.453728289000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.945767478500001e-15 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (12) | 8.829249769000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.829249769000000e-21 | PASS |
| Hartree stress (13) | 3.158077137000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.158077137000000e-22 | PASS |
| Hartree stress (21) | 8.829249769000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.829249769000000e-21 | PASS |
| Hartree stress (22) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (23) | 6.305348098000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.305348098000000e-21 | PASS |
| Hartree stress (31) | 3.158077137000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.158077137000000e-22 | PASS |
| Hartree stress (32) | 6.305348098000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.305348098000000e-21 | PASS |
| Hartree stress (33) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -3.639930038000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.639930038000000e-20 | PASS |
| XC stress (13) | -3.119512995000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.119512995000000e-20 | PASS |
| XC stress (21) | -3.639930038000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.639930038000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 3.981481839000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.981481839000000e-20 | PASS |
| XC stress (31) | -3.119512995000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.119512995000000e-20 | PASS |
| XC stress (32) | 3.981481839000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.981481839000000e-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) | -4.451112881000000e-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) | -5.662478861000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -4.999999980020986e-13 | PASS |
| Stress (12) | 1.156954409000000e-17 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.561633551100001e-16 | PASS |
| Stress (13) | -2.474471571000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.176656859000001e-15 | PASS |
| Stress (21) | 1.156955762000000e-17 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.561633485800000e-16 | PASS |
| Stress (22) | -5.662478871000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -1.899999905671801e-12 | PASS |
| Stress (23) | -1.033303515000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.150703360500000e-14 | PASS |
| Stress (31) | -2.474471569000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.176656857000000e-15 | PASS |
| Stress (32) | -1.033303515000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.150703360500000e-14 | PASS |
| Stress (33) | -5.662478871000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -1.999999992008394e-12 | PASS |