Input 30-stress.02-gamma_point.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_ppc_autotools: [foss2022a-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) | 1.665959408000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.199999992707035e-07 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -6.475939576000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576618501042400e-15 | PASS |
| Kinetic stress (13) | 1.190136856000000e-17 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.660161655600001e-16 | PASS |
| Kinetic stress (21) | -6.475939576000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576618501042400e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -4.191675652000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.699636462500000e-15 | PASS |
| Kinetic stress (31) | 1.190136856000000e-17 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.660161655600001e-16 | PASS |
| Kinetic stress (32) | -4.191675652000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.699636462500000e-15 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (12) | 5.521796322000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.521796322000000e-21 | PASS |
| Hartree stress (13) | -3.423513720000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.423513720000000e-20 | PASS |
| Hartree stress (21) | 5.521796322000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.521796322000000e-21 | PASS |
| Hartree stress (22) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (23) | -7.730514851000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.730514851000000e-21 | PASS |
| Hartree stress (31) | -3.423513720000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.423513720000000e-20 | PASS |
| Hartree stress (32) | -7.730514851000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.730514851000000e-21 | PASS |
| Hartree stress (33) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -3.407190030000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.407190030000000e-22 | PASS |
| XC stress (13) | 5.517043223000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.517043223000000e-20 | PASS |
| XC stress (21) | -3.407190030000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.407190030000000e-22 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -1.283985481000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.283985481000000e-19 | PASS |
| XC stress (31) | 5.517043223000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.517043223000000e-20 | PASS |
| XC stress (32) | -1.283985481000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.283985481000000e-19 | 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) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (13) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (21) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (31) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (32) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478865000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -9.000000180878209e-13 | PASS |
| Stress (12) | 1.804669426000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.659282297740001e-16 | PASS |
| Stress (13) | -2.767206915000000e-17 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.729857357150000e-15 | PASS |
| Stress (21) | 1.804669426000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.659282367739999e-16 | PASS |
| Stress (22) | -5.662478874000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -2.199999947841147e-12 | PASS |
| Stress (23) | 8.301522528000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 7.127524073000000e-15 | PASS |
| Stress (31) | -2.767206915000000e-17 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.729857357150000e-15 | PASS |
| Stress (32) | 8.301522528000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 7.127524073000000e-15 | PASS |
| Stress (33) | -5.662478874000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -2.300000034177740e-12 | PASS |