Input 30-stress.02-gamma_point.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478860000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | -3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959406000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.400000009255109e-07 | PASS |
| Kinetic stress (11) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | -2.275957200000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.574990137800000e-15 | PASS |
| Kinetic stress (13) | 6.661338148000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924130547185200e-15 | PASS |
| Kinetic stress (21) | -2.275957200000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.574990137800000e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | 5.551115123000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.087663788123000e-16 | PASS |
| Kinetic stress (31) | 6.661338148000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924130547185200e-15 | PASS |
| Kinetic stress (32) | 5.551115123000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.087663788123000e-16 | PASS |
| Kinetic stress (33) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Hartree stress (11) | 8.859962920000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.000000200857223e-13 | PASS |
| Hartree stress (12) | -6.819418458000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.819418458000000e-20 | PASS |
| Hartree stress (13) | -1.546102970000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.546102970000000e-20 | PASS |
| Hartree stress (21) | -6.819418458000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.819418458000000e-20 | PASS |
| Hartree stress (22) | 8.859962920000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.000000200857223e-13 | PASS |
| Hartree stress (23) | 2.484808345000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-21 | PASS |
| Hartree stress (31) | -1.546102970000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.546102970000000e-20 | PASS |
| Hartree stress (32) | 2.484808345000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.484808345000000e-21 | PASS |
| Hartree stress (33) | 8.859962920000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.000000200857223e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 3.625173959000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.625173959000000e-20 | PASS |
| XC stress (13) | -2.272885859000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.272885859000000e-20 | PASS |
| XC stress (21) | 3.625173959000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.625173959000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 2.755101716000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.755101716000000e-20 | PASS |
| XC stress (31) | -2.272885859000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.272885859000000e-20 | PASS |
| XC stress (32) | 2.755101716000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.755101716000000e-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) | -4.523568278000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568278000000e-19 | PASS |
| Ion-ion stress (13) | 8.918692209000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918692209000000e-20 | PASS |
| Ion-ion stress (21) | -4.523568807000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568807000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 8.963465368000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963465368000000e-20 | PASS |
| Ion-ion stress (31) | 8.918689560000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918689560000000e-20 | PASS |
| Ion-ion stress (32) | 8.963464045000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963464045000000e-20 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478861000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 3.800000028184036e-12 | PASS |
| Stress (12) | 2.715459477000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.650174397230001e-16 | PASS |
| Stress (13) | -4.366586319000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.452937779368100e-15 | PASS |
| Stress (21) | 2.715459530000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.650174466699999e-16 | PASS |
| Stress (22) | -5.662478862000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 3.749999985015740e-12 | PASS |
| Stress (23) | -9.922974139999999e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395362814414000e-15 | PASS |
| Stress (31) | -4.366586054000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.452937777394600e-15 | PASS |
| Stress (32) | -9.922974008000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395362814400800e-15 | PASS |
| Stress (33) | -5.662478863000001e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 3.849999962932116e-12 | PASS |