Input 30-stress.02-gamma_point.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478930000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 7.999999968033578e-12 | PASS |
| Pressure (GPa) | 1.665959426000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 5.999999785899490e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -6.317049748000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.570949045252000e-15 | PASS |
| Kinetic stress (13) | 1.272719994000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126834791000000e-15 | PASS |
| Kinetic stress (21) | -6.317049748000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.570949045252000e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 5.459927649000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.951966838500000e-15 | PASS |
| Kinetic stress (31) | 1.272719994000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126834791000000e-15 | PASS |
| Kinetic stress (32) | 5.459927649000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.951966838500000e-15 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962917000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -7.000000622550684e-13 | PASS |
| Hartree stress (12) | 6.823899073000001e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.823899073000001e-20 | PASS |
| Hartree stress (13) | -1.750467244000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.750467244000000e-20 | PASS |
| Hartree stress (21) | 6.823899073000001e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.823899073000001e-20 | PASS |
| Hartree stress (22) | 8.859962917000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -7.000000622550684e-13 | PASS |
| Hartree stress (23) | -9.417390332000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.417390332000000e-21 | PASS |
| Hartree stress (31) | -1.750467244000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.750467244000000e-20 | PASS |
| Hartree stress (32) | -9.417390332000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.417390332000000e-21 | PASS |
| Hartree stress (33) | 8.859962917000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -7.000000622550684e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -6.418174192000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.418174192000000e-21 | PASS |
| XC stress (13) | -6.886821933000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.886821933000000e-20 | PASS |
| XC stress (21) | -6.418174192000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.418174192000000e-21 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 2.093675484000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.093675484000000e-20 | PASS |
| XC stress (31) | -6.886821933000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.886821933000000e-20 | PASS |
| XC stress (32) | 2.093675484000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.093675484000000e-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) | -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) | -5.662478936000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -7.999999968033578e-12 | PASS |
| Stress (12) | 1.246100818000000e-17 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.552718910200000e-16 | PASS |
| Stress (13) | -2.475800725000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.177986013000000e-15 | PASS |
| Stress (21) | 1.246102170000000e-17 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.552718844999999e-16 | PASS |
| Stress (22) | -5.662478931000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -7.899999881696984e-12 | PASS |
| Stress (23) | -1.034514192000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.151914037500000e-14 | PASS |
| Stress (31) | -2.475800724000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.177986012000000e-15 | PASS |
| Stress (32) | -1.034514192000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.151914037500000e-14 | PASS |
| Stress (33) | -5.662478931000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -7.999999968033578e-12 | PASS |