Input 30-stress.02-gamma_point.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478930000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 7.999999968033578e-12 | PASS |
| Pressure (GPa) | 1.665959426000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 5.999999785899490e-08 | PASS |
| Kinetic stress (11) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (12) | 4.718447855000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577737939785500e-15 | PASS |
| Kinetic stress (13) | -1.387778781000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.539760191219001e-16 | PASS |
| Kinetic stress (21) | 4.718447855000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577737939785500e-15 | PASS |
| Kinetic stress (22) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (23) | 6.938893904000001e-20 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921085784390400e-16 | PASS |
| Kinetic stress (31) | -1.387778781000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.539760191219001e-16 | PASS |
| Kinetic stress (32) | 6.938893904000001e-20 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921085784390400e-16 | PASS |
| Kinetic stress (33) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Hartree stress (11) | 8.859962935000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.099999973920573e-12 | PASS |
| Hartree stress (12) | 1.795343641000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.795343641000000e-20 | PASS |
| Hartree stress (13) | -1.662092593000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.662092593000000e-20 | PASS |
| Hartree stress (21) | 1.795343641000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.795343641000000e-20 | PASS |
| Hartree stress (22) | 8.859962935000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.099999973920573e-12 | PASS |
| Hartree stress (23) | 2.181869383000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.181869383000000e-20 | PASS |
| Hartree stress (31) | -1.662092593000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.662092593000000e-20 | PASS |
| Hartree stress (32) | 2.181869383000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.181869383000000e-20 | PASS |
| Hartree stress (33) | 8.859962935000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.099999973920573e-12 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -5.524127640000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.524127640000000e-20 | PASS |
| XC stress (13) | -3.442459469000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.442459469000000e-20 | PASS |
| XC stress (21) | -5.524127640000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.524127640000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 2.359080945000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.359080945000000e-20 | PASS |
| XC stress (31) | -3.442459469000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.442459469000000e-20 | PASS |
| XC stress (32) | 2.359080945000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.359080945000000e-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) | -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) | -5.662478933000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -7.700000034284449e-12 | PASS |
| Stress (12) | -1.845594093000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.679174586093002e-16 | PASS |
| Stress (13) | 2.012591895000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.701984028810500e-15 | PASS |
| Stress (21) | -1.845594093000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.679174656093000e-16 | PASS |
| Stress (22) | -5.662478932000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -7.999999968033578e-12 | PASS |
| Stress (23) | -1.874754198000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174185930419800e-15 | PASS |
| Stress (31) | 2.012591895000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.701984028810500e-15 | PASS |
| Stress (32) | -1.874754198000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174185930419800e-15 | PASS |
| Stress (33) | -5.662478933000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -8.200000032286547e-12 | PASS |