Input 30-stress.02-gamma_point.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478880000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 2.999999988012592e-12 | PASS |
| Pressure (GPa) | 1.665959411000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -9.000000034120603e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | 1.665334537000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577432628453700e-15 | PASS |
| Kinetic stress (13) | -1.665334537000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.539482635463002e-16 | PASS |
| Kinetic stress (21) | 1.665334537000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577432628453700e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | -1.665334537000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.918726560463000e-16 | PASS |
| Kinetic stress (31) | -1.665334537000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.539482635463002e-16 | PASS |
| Kinetic stress (32) | -1.665334537000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.918726560463000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962924000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 0.000000000000000e+00 | PASS |
| Hartree stress (12) | -1.678283812000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.678283812000000e-19 | PASS |
| Hartree stress (13) | 6.534111929000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.534111929000000e-21 | PASS |
| Hartree stress (21) | -1.678283812000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.678283812000000e-19 | PASS |
| Hartree stress (22) | 8.859962924000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 0.000000000000000e+00 | PASS |
| Hartree stress (23) | -8.842196136000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.842196136000000e-21 | PASS |
| Hartree stress (31) | 6.534111929000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.534111929000000e-21 | PASS |
| Hartree stress (32) | -8.842196136000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.842196136000000e-21 | PASS |
| Hartree stress (33) | 8.859962924000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 0.000000000000000e+00 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 1.332106848000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.332106848000000e-20 | PASS |
| XC stress (13) | -4.026166279000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.026166279000000e-21 | PASS |
| XC stress (21) | 1.332106848000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.332106848000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 1.055656470000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.055656470000000e-20 | PASS |
| XC stress (31) | -4.026166279000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.026166279000000e-21 | PASS |
| XC stress (32) | 1.055656470000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.055656470000000e-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) | -5.662478881000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -2.499999990010493e-12 | PASS |
| Stress (12) | 5.055283822000000e-20 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.676823463617802e-16 | PASS |
| Stress (13) | -4.151226941000000e-20 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702226800269410e-15 | PASS |
| Stress (21) | 5.056636469000000e-20 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.676823398353099e-16 | PASS |
| Stress (22) | -5.662478879000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -2.699999945843246e-12 | PASS |
| Stress (23) | 5.771641717000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173421290828300e-15 | PASS |
| Stress (31) | -4.151057511000000e-20 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702226798575110e-15 | PASS |
| Stress (32) | 5.771641452000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173421290854800e-15 | PASS |
| Stress (33) | -5.662478878000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -2.700000054263463e-12 | PASS |