Input 30-stress.02-gamma_point.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478770000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | -7.999999968033578e-12 | PASS |
| Pressure (GPa) | 1.665959380000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -4.000000011217253e-07 | PASS |
| Kinetic stress (11) | 9.361438591000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -5.000000413701855e-12 | PASS |
| Kinetic stress (12) | -2.063978735000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575202116265000e-15 | PASS |
| Kinetic stress (13) | 2.326647304000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.180762101000000e-15 | PASS |
| Kinetic stress (21) | -2.063978735000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575202116265000e-15 | PASS |
| Kinetic stress (22) | 9.361438591000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -5.000000413701855e-12 | PASS |
| Kinetic stress (23) | -3.955758030000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463718840500000e-15 | PASS |
| Kinetic stress (31) | 2.326647304000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.180762101000000e-15 | PASS |
| Kinetic stress (32) | -3.955758030000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463718840500000e-15 | PASS |
| Kinetic stress (33) | 9.361438591000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -5.000000413701855e-12 | PASS |
| Hartree stress (11) | 8.859962918000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -6.000000843386921e-13 | PASS |
| Hartree stress (12) | -4.748744837000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.748744837000000e-20 | PASS |
| Hartree stress (13) | 1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.270013154000000e-20 | PASS |
| Hartree stress (21) | -4.748744837000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.748744837000000e-20 | PASS |
| Hartree stress (22) | 8.859962918000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -6.000000843386921e-13 | PASS |
| Hartree stress (23) | 2.484808345000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-20 | PASS |
| Hartree stress (31) | 1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.270013154000000e-20 | PASS |
| Hartree stress (32) | 2.484808345000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-20 | PASS |
| Hartree stress (33) | 8.859962918000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -6.000000843386921e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -2.492563854000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.492563854000000e-20 | PASS |
| XC stress (13) | 3.058551269000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.058551269000000e-20 | PASS |
| XC stress (21) | -2.492563854000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.492563854000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 1.701943301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.701943301000000e-20 | PASS |
| XC stress (31) | 3.058551269000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.058551269000000e-20 | PASS |
| XC stress (32) | 1.701943301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.701943301000000e-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) | -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) | -5.662478775000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | 8.099999945949954e-12 | PASS |
| Stress (12) | 5.015983943000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.627169152570002e-16 | PASS |
| Stress (13) | -4.441823651000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.144008938999999e-15 | PASS |
| Stress (21) | 5.015999230000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.627169069700000e-16 | PASS |
| Stress (22) | -5.662478774000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | 7.800000120621042e-12 | PASS |
| Stress (23) | 7.801361532000001e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.627363077000001e-15 | PASS |
| Stress (31) | -4.441823649000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.144008937000000e-15 | PASS |
| Stress (32) | 7.801361546000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.627363091000000e-15 | PASS |
| Stress (33) | -5.662478771000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | 7.999999968033578e-12 | PASS |