Input 30-stress.02-gamma_point.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478910000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959420000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Kinetic stress (12) | -5.551115123000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576710983487700e-15 | PASS |
| Kinetic stress (13) | 2.498001805000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924546880819500e-15 | PASS |
| Kinetic stress (21) | -5.551115123000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576710983487700e-15 | PASS |
| Kinetic stress (22) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Kinetic stress (23) | 1.276756478000000e-18 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.094880237780000e-16 | PASS |
| Kinetic stress (31) | 2.498001805000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924546880819500e-15 | PASS |
| Kinetic stress (32) | 1.276756478000000e-18 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.094880237780000e-16 | PASS |
| Kinetic stress (33) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Hartree stress (11) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| Hartree stress (12) | 6.708982531000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.708982531000000e-20 | PASS |
| Hartree stress (13) | -2.595244271000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.595244271000000e-20 | PASS |
| Hartree stress (21) | 6.708982531000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.708982531000000e-20 | PASS |
| Hartree stress (22) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| Hartree stress (23) | 1.380449080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.380449080000000e-20 | PASS |
| Hartree stress (31) | -2.595244271000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.595244271000000e-20 | PASS |
| Hartree stress (32) | 1.380449080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.380449080000000e-20 | PASS |
| Hartree stress (33) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -3.156531805000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.156531805000000e-20 | PASS |
| XC stress (13) | 6.557919660000001e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.557919660000001e-20 | PASS |
| XC stress (21) | -3.156531805000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.156531805000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 1.842317836000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.842317836000000e-20 | PASS |
| XC stress (31) | 6.557919660000001e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.557919660000001e-20 | PASS |
| XC stress (32) | 1.842317836000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.842317836000000e-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) | -5.662478910000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | -1.099999973920573e-12 | PASS |
| Stress (12) | 1.395050545000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.663378486550001e-16 | PASS |
| Stress (13) | -3.072610018000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453067176998201e-15 | PASS |
| Stress (21) | 1.395050545000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.663378556549999e-16 | PASS |
| Stress (22) | -5.662478911000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | -1.150000017088870e-12 | PASS |
| Stress (23) | -1.661879322000000e-18 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.396032396322000e-15 | PASS |
| Stress (31) | -3.072610018000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453067174998200e-15 | PASS |
| Stress (32) | -1.661879322000000e-18 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.396032396322000e-15 | PASS |
| Stress (33) | -5.662478906999999e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | -5.499999327501781e-13 | PASS |