Input 30-stress.02-gamma_point.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478820000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | -2.999999988012592e-12 | PASS |
| Pressure (GPa) | 1.665959393000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -2.700000010236181e-07 | PASS |
| Kinetic stress (11) | 9.361438593000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -3.000001289055199e-12 | PASS |
| Kinetic stress (12) | -2.973532878000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.574292562122000e-15 | PASS |
| Kinetic stress (13) | 2.326415333000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | 3.180530130000000e-15 | PASS |
| Kinetic stress (21) | -2.973532878000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.574292562122000e-15 | PASS |
| Kinetic stress (22) | 9.361438592000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -3.999999984016789e-12 | PASS |
| Kinetic stress (23) | -3.954356590000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.462317400500000e-15 | PASS |
| Kinetic stress (31) | 2.326415333000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | 3.180530130000000e-15 | PASS |
| Kinetic stress (32) | -3.954356590000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.462317400500000e-15 | PASS |
| Kinetic stress (33) | 9.361438592000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -3.999999984016789e-12 | PASS |
| Hartree stress (11) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| Hartree stress (12) | -2.678071216000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.678071216000000e-20 | PASS |
| Hartree stress (13) | 8.558784299000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.558784299000000e-21 | PASS |
| Hartree stress (21) | -2.678071216000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.678071216000000e-20 | PASS |
| Hartree stress (22) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| Hartree stress (23) | -4.693526874000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.693526874000000e-21 | PASS |
| Hartree stress (31) | 8.558784299000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.558784299000000e-21 | PASS |
| Hartree stress (32) | -4.693526874000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.693526874000000e-21 | PASS |
| Hartree stress (33) | 8.859962908999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.500000102426513e-12 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | 7.244037523000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.244037523000000e-21 | PASS |
| XC stress (13) | -2.398098504000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.398098504000000e-20 | PASS |
| XC stress (21) | 7.244037523000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.244037523000000e-21 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 5.136619550000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.136619550000000e-21 | PASS |
| XC stress (31) | -2.398098504000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.398098504000000e-20 | PASS |
| XC stress (32) | 5.136619550000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.136619550000000e-21 | 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) | -5.662478822000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | 3.400000008098314e-12 | PASS |
| Stress (12) | 6.548008254000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.611848909460001e-16 | PASS |
| Stress (13) | -4.443966956000000e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | -6.146152244000001e-15 | PASS |
| Stress (21) | 6.548023541000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.611848826589999e-16 | PASS |
| Stress (22) | -5.662478817000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | 3.500000094434907e-12 | PASS |
| Stress (23) | 7.799198679000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.625200224000000e-15 | PASS |
| Stress (31) | -4.443966955000000e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | -6.146152243000000e-15 | PASS |
| Stress (32) | 7.799198693000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.625200238000000e-15 | PASS |
| Stress (33) | -5.662478819000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | 3.199999943845344e-12 | PASS |