Input 30-stress.02-gamma_point.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478880000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | -1.999999992008394e-12 | PASS |
| Pressure (GPa) | 1.665959412000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -1.443289932000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575822805068000e-15 | PASS |
| Kinetic stress (13) | 3.330669074000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924463614092600e-15 | PASS |
| Kinetic stress (21) | -1.443289932000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575822805068000e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -2.775557562000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.079337115438000e-16 | PASS |
| Kinetic stress (31) | 3.330669074000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924463614092600e-15 | PASS |
| Kinetic stress (32) | -2.775557562000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.079337115438000e-16 | PASS |
| Kinetic stress (33) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (12) | -8.068724876000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.068724876000000e-20 | PASS |
| Hartree stress (13) | 9.387053746999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.387053746999999e-21 | PASS |
| Hartree stress (21) | -8.068724876000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.068724876000000e-20 | PASS |
| Hartree stress (22) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (23) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-15 | 0.000000000000000e+00 | PASS |
| Hartree stress (31) | 9.387053746999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.387053746999999e-21 | PASS |
| Hartree stress (32) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-15 | 0.000000000000000e+00 | PASS |
| Hartree stress (33) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -2.732189475000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.732189475000000e-20 | PASS |
| XC stress (13) | -5.204170428000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.204170428000000e-20 | PASS |
| XC stress (21) | -2.732189475000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.732189475000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 2.428612866000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.428612866000000e-20 | PASS |
| XC stress (31) | -5.204170428000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.204170428000000e-20 | PASS |
| XC stress (32) | 2.428612866000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.428612866000000e-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) | -4.559343973000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.559343973000000e-19 | PASS |
| Ion-ion stress (13) | 5.974689174000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.974689174000000e-20 | PASS |
| Ion-ion stress (21) | -4.559479503000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.559479503000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.303989486000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.303989486000000e-19 | PASS |
| Ion-ion stress (31) | 5.974520406000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.974520406000000e-20 | PASS |
| Ion-ion stress (32) | -1.303989023000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.303989023000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478883000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 1.599999971922672e-12 | PASS |
| Stress (12) | 2.575328513000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.651575706870002e-16 | PASS |
| Stress (13) | -7.802511617000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.452594186838300e-15 | PASS |
| Stress (21) | 2.575342066000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.651575641339999e-16 | PASS |
| Stress (22) | -5.662478885000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 1.449999950837999e-12 | PASS |
| Stress (23) | 6.050571654000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393765459834600e-15 | PASS |
| Stress (31) | -7.802494740000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.452594186525999e-15 | PASS |
| Stress (32) | 6.050571191000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393765459880900e-15 | PASS |
| Stress (33) | -5.662478884000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 1.749999993007345e-12 | PASS |