Input 30-stress.02-gamma_point.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478940000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959428000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (12) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (13) | -5.828670879000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925379548087900e-15 | PASS |
| Kinetic stress (21) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (22) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (23) | 2.775557562000000e-20 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.082390228756200e-16 | PASS |
| Kinetic stress (31) | -5.828670879000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925379548087900e-15 | PASS |
| Kinetic stress (32) | 2.775557562000000e-20 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.082390228756200e-16 | PASS |
| Kinetic stress (33) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Hartree stress (11) | 8.859962939000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.499999994006296e-12 | PASS |
| Hartree stress (12) | -1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.270013154000000e-20 | PASS |
| Hartree stress (13) | 2.760898161000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.760898161000000e-22 | PASS |
| Hartree stress (21) | -1.270013154000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.270013154000000e-20 | PASS |
| Hartree stress (22) | 8.859962939000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.499999994006296e-12 | PASS |
| Hartree stress (23) | -1.656538897000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.656538897000000e-21 | PASS |
| Hartree stress (31) | 2.760898161000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.760898161000000e-22 | PASS |
| Hartree stress (32) | -1.656538897000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.656538897000000e-21 | PASS |
| Hartree stress (33) | 8.859962939000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.499999994006296e-12 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 2.946912327000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.946912327000000e-20 | PASS |
| XC stress (13) | 1.713547652000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.713547652000000e-21 | PASS |
| XC stress (21) | 2.946912327000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.946912327000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -3.590149147000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.590149147000000e-20 | PASS |
| XC stress (31) | 1.713547652000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.713547652000000e-21 | PASS |
| XC stress (32) | -3.590149147000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.590149147000000e-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) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (13) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (21) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (31) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (32) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478940000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | -4.099999961933165e-12 | PASS |
| Stress (12) | 1.077993462000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.666549057380000e-16 | PASS |
| Stress (13) | 9.786225973999999e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.454353060597400e-15 | PASS |
| Stress (21) | 1.077993462000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.666549127379999e-16 | PASS |
| Stress (22) | -5.662478938000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | -3.850000071352333e-12 | PASS |
| Stress (23) | -3.553487137000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.394725865713700e-15 | PASS |
| Stress (31) | 9.786225973999999e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.454353058597400e-15 | PASS |
| Stress (32) | -3.553487137000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.394725865713700e-15 | PASS |
| Stress (33) | -5.662478939000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | -3.749999985015740e-12 | PASS |