Input 30-stress.02-gamma_point.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 4.999999980020986e-12 | PASS |
| Pressure (GPa) | 1.665959415000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -5.000000058430487e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | -8.465450563000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576419549943700e-15 | PASS |
| Kinetic stress (13) | 3.330669074000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544478639074001e-16 | PASS |
| Kinetic stress (21) | -8.465450563000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576419549943700e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 7.771561172000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.928163456172000e-16 | PASS |
| Kinetic stress (31) | 3.330669074000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544478639074001e-16 | PASS |
| Kinetic stress (32) | 7.771561172000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.928163456172000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (12) | -3.738256110000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.738256110000000e-19 | PASS |
| Hartree stress (13) | 1.490885007000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.490885007000000e-20 | PASS |
| Hartree stress (21) | -3.738256110000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.738256110000000e-19 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | -2.484808345000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.484808345000000e-20 | PASS |
| Hartree stress (31) | 1.490885007000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.490885007000000e-20 | PASS |
| Hartree stress (32) | -2.484808345000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.484808345000000e-20 | PASS |
| Hartree stress (33) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 2.928383481000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.928383481000000e-20 | PASS |
| XC stress (13) | -2.275786947000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.275786947000000e-20 | PASS |
| XC stress (21) | 2.928383481000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.928383481000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -6.488060618000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.488060618000000e-21 | PASS |
| XC stress (31) | -2.275786947000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.275786947000000e-20 | PASS |
| XC stress (32) | -6.488060618000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.488060618000000e-21 | 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) | -3.027589048000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.027589048000000e-19 | PASS |
| Ion-ion stress (13) | 1.566172853000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.566172853000000e-19 | PASS |
| Ion-ion stress (21) | -3.027741915000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.027741915000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 1.907308227000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.907308227000000e-19 | PASS |
| Ion-ion stress (31) | 1.566156241000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.566156241000000e-19 | PASS |
| Ion-ion stress (32) | 1.907172239000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.907172239000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478896000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.999999984016789e-12 | PASS |
| Stress (12) | 8.068256950000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.669260735050001e-16 | PASS |
| Stress (13) | -7.239058921000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702909193892100e-15 | PASS |
| Stress (21) | 8.068409817000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.669260652182999e-16 | PASS |
| Stress (22) | -5.662478895000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -4.299999917765918e-12 | PASS |
| Stress (23) | -1.311449656000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175309904656000e-15 | PASS |
| Stress (31) | -7.239042309000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702909192230900e-15 | PASS |
| Stress (32) | -1.311436057000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175309891057000e-15 | PASS |
| Stress (33) | -5.662478895000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -4.400000004102511e-12 | PASS |