Input 30-stress.02-gamma_point.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_omp_autotools: [intel2023a-serial]
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) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | 3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577599161907400e-15 | PASS |
| Kinetic stress (13) | 3.330669074000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544478639074001e-16 | PASS |
| Kinetic stress (21) | 3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577599161907400e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | -7.216449660000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913175445340000e-16 | PASS |
| Kinetic stress (31) | 3.330669074000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.544478639074001e-16 | PASS |
| Kinetic stress (32) | -7.216449660000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.913175445340000e-16 | PASS |
| Kinetic stress (33) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Hartree stress (11) | 8.859962913999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000104424414e-12 | PASS |
| Hartree stress (12) | -1.297622136000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.297622136000000e-19 | PASS |
| Hartree stress (13) | 1.987846676000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.987846676000000e-20 | PASS |
| Hartree stress (21) | -1.297622136000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.297622136000000e-19 | PASS |
| Hartree stress (22) | 8.859962913999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000104424414e-12 | PASS |
| Hartree stress (23) | 9.939233380000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.939233380000001e-21 | PASS |
| Hartree stress (31) | 1.987846676000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.987846676000000e-20 | PASS |
| Hartree stress (32) | 9.939233380000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.939233380000001e-21 | PASS |
| Hartree stress (33) | 8.859962913999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000104424414e-12 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -3.169639640000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.169639640000000e-20 | PASS |
| XC stress (13) | -2.128805555000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.128805555000000e-20 | PASS |
| XC stress (21) | -3.169639640000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.169639640000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 8.846030936000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.846030936000000e-20 | PASS |
| XC stress (31) | -2.128805555000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.128805555000000e-20 | PASS |
| XC stress (32) | 8.846030936000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.846030936000000e-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) | -4.523568278000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568278000000e-19 | PASS |
| Ion-ion stress (13) | 8.918692209000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918692209000000e-20 | PASS |
| Ion-ion stress (21) | -4.523568807000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568807000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 8.963465368000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963465368000000e-20 | PASS |
| Ion-ion stress (31) | 8.918689560000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918689560000000e-20 | PASS |
| Ion-ion stress (32) | 8.963464045000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963464045000000e-20 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478870000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -1.400000016089920e-12 | PASS |
| Stress (12) | -3.960395618000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.681289387618002e-16 | PASS |
| Stress (13) | -4.559238928000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702641211892800e-15 | PASS |
| Stress (21) | -3.960395089000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.681289457089000e-16 | PASS |
| Stress (22) | -5.662478874000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -2.199999947841147e-12 | PASS |
| Stress (23) | 4.991186265000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173499336373500e-15 | PASS |
| Stress (31) | -4.559238663000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702641211866300e-15 | PASS |
| Stress (32) | 4.991186398000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173499336360200e-15 | PASS |
| Stress (33) | -5.662478874000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -2.300000034177740e-12 | PASS |