Input 30-stress.02-gamma_point.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
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) | 1.665959409000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.100000019960135e-07 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (13) | -6.591949209000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540488775079102e-16 | PASS |
| Kinetic stress (21) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -3.885780586000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.916506114414000e-16 | PASS |
| Kinetic stress (31) | -6.591949209000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540488775079102e-16 | PASS |
| Kinetic stress (32) | -3.885780586000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.916506114414000e-16 | PASS |
| Kinetic stress (33) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (12) | -1.074973916000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.074973916000000e-20 | PASS |
| Hartree stress (13) | 2.271452701000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.271452701000000e-20 | PASS |
| Hartree stress (21) | -1.074973916000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.074973916000000e-20 | PASS |
| Hartree stress (22) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| Hartree stress (23) | 2.827374469000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.827374469000000e-21 | PASS |
| Hartree stress (31) | 2.271452701000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.271452701000000e-20 | PASS |
| Hartree stress (32) | 2.827374469000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.827374469000000e-21 | PASS |
| Hartree stress (33) | 8.859962928000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 3.999999116655051e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -2.809623193000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.809623193000000e-20 | PASS |
| XC stress (13) | -2.766255106000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.766255106000000e-20 | PASS |
| XC stress (21) | -2.809623193000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.809623193000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 5.205214312000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.205214312000000e-20 | PASS |
| XC stress (31) | -2.766255106000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.766255106000000e-20 | PASS |
| XC stress (32) | 5.205214312000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.205214312000000e-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) | -5.662478876000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -1.999999992008394e-12 | PASS |
| Stress (12) | 1.084789977000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.666481092230002e-16 | PASS |
| Stress (13) | 4.908286951000000e-21 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702180379713049e-15 | PASS |
| Stress (21) | 1.084803503000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.666481026969999e-16 | PASS |
| Stress (22) | -5.662478874000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -2.199999947841147e-12 | PASS |
| Stress (23) | 4.082684074000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173590186592600e-15 | PASS |
| Stress (31) | 4.909981248000000e-21 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702180378018752e-15 | PASS |
| Stress (32) | 4.082683810000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173590186619000e-15 | PASS |
| Stress (33) | -5.662478874000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -2.300000034177740e-12 | PASS |