Input 30-stress.02-gamma_point.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 0.000000000000000e+00 | PASS |
| Pressure (GPa) | 1.665959416000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -3.999999975690116e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | 0.000000000000000e+00 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577266095000000e-15 | PASS |
| Kinetic stress (13) | -4.510281038000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925247709103800e-15 | PASS |
| Kinetic stress (21) | 0.000000000000000e+00 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577266095000000e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -8.847089727000001e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.073265583273000e-16 | PASS |
| Kinetic stress (31) | -4.510281038000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925247709103800e-15 | PASS |
| Kinetic stress (32) | -8.847089727000001e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.073265583273000e-16 | PASS |
| Kinetic stress (33) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 8.859962926000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.999999558327525e-13 | PASS |
| Hartree stress (12) | 7.454425035000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.454425035000000e-21 | PASS |
| Hartree stress (13) | -7.454425035000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.454425035000000e-21 | PASS |
| Hartree stress (21) | 7.454425035000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.454425035000000e-21 | PASS |
| Hartree stress (22) | 8.859962926000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.999999558327525e-13 | PASS |
| Hartree stress (23) | -1.435667044000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.435667044000000e-20 | PASS |
| Hartree stress (31) | -7.454425035000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.454425035000000e-21 | PASS |
| Hartree stress (32) | -1.435667044000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.435667044000000e-20 | PASS |
| Hartree stress (33) | 8.859962926000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.999999558327525e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -9.818954155000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.818954155000000e-20 | PASS |
| XC stress (13) | -9.125064765000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.125064765000000e-20 | PASS |
| XC stress (21) | -9.818954155000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.818954155000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 1.477077229000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.477077229000000e-20 | PASS |
| XC stress (31) | -9.125064765000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.125064765000000e-20 | PASS |
| XC stress (32) | 1.477077229000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.477077229000000e-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) | -5.662478895000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 4.000000200857223e-13 | PASS |
| Stress (12) | -4.366336852000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.681695328852002e-16 | PASS |
| Stress (13) | 5.460058003000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453920443800300e-15 | PASS |
| Stress (21) | -4.366336852000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.681695398852000e-16 | PASS |
| Stress (22) | -5.662478898000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 1.499999126644558e-13 | PASS |
| Stress (23) | 8.720645594999999e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393498452440500e-15 | PASS |
| Stress (31) | 5.460058003000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453920441800299e-15 | PASS |
| Stress (32) | 8.720645594999999e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393498452440500e-15 | PASS |
| Stress (33) | -5.662478894000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 7.499999970031479e-13 | PASS |