Input 30-stress.02-gamma_point.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 0.000000000000000e+00 | PASS |
| Pressure (GPa) | 1.665959416000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -3.999999975690116e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | -1.110223025000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577155072697500e-15 | PASS |
| Kinetic stress (13) | -4.163336342000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925213014634200e-15 | PASS |
| Kinetic stress (21) | -1.110223025000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577155072697500e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 2.775557562000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.084888230562000e-16 | PASS |
| Kinetic stress (31) | -4.163336342000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925213014634200e-15 | PASS |
| Kinetic stress (32) | 2.775557562000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.084888230562000e-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) | 1.557146563000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.557146563000000e-19 | PASS |
| Hartree stress (13) | -1.049141301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.049141301000000e-20 | PASS |
| Hartree stress (21) | 1.557146563000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.557146563000000e-19 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | -1.408058062000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.408058062000000e-20 | PASS |
| Hartree stress (31) | -1.049141301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.049141301000000e-20 | PASS |
| Hartree stress (32) | -1.408058062000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.408058062000000e-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) | 3.160195223000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.160195223000000e-20 | PASS |
| XC stress (13) | 3.854084613000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.854084613000000e-20 | PASS |
| XC stress (21) | 3.160195223000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.160195223000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 4.381955546000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.381955546000000e-20 | PASS |
| XC stress (31) | 3.854084613000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.854084613000000e-20 | PASS |
| XC stress (32) | 4.381955546000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.381955546000000e-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) | -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 | -5.662478899000000e-04 | 4.180000000000000e-12 | 3.000000421693461e-13 | PASS |
| Stress (12) | 4.519143327000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.672809848673000e-16 | PASS |
| Stress (13) | 4.003288605000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453774766860501e-15 | PASS |
| Stress (21) | 4.519296194000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.672809765806000e-16 | PASS |
| Stress (22) | -5.662478895000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 4.499999548338018e-13 | PASS |
| Stress (23) | -8.323914948000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395202908494800e-15 | PASS |
| Stress (31) | 4.003305217000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453774766521700e-15 | PASS |
| Stress (32) | -8.323778959000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395202894895900e-15 | PASS |
| Stress (33) | -5.662478896000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 5.500000411703954e-13 | PASS |