Input 30-stress.02-gamma_point.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_omp_autotools: [foss2023a-mpi]
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) | -3.154587702000000e-15 | -1.577266095000000e-15 | 1.740000000000000e-15 | -1.577321607000000e-15 | PASS |
| Kinetic stress (13) | 9.851092164000001e-15 | 4.924796681000000e-15 | 5.420000000000000e-15 | 4.926295483000001e-15 | PASS |
| Kinetic stress (21) | -3.154587702000000e-15 | -1.577266095000000e-15 | 1.740000000000000e-15 | -1.577321607000000e-15 | PASS |
| Kinetic stress (22) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Kinetic stress (23) | -1.417699291000000e-15 | -7.082112673000000e-16 | 7.800000000000000e-16 | -7.094880237000000e-16 | PASS |
| Kinetic stress (31) | 9.851092164000001e-15 | 4.924796681000000e-15 | 5.420000000000000e-15 | 4.926295483000001e-15 | PASS |
| Kinetic stress (32) | -1.417699291000000e-15 | -7.082112673000000e-16 | 7.800000000000000e-16 | -7.094880237000000e-16 | PASS |
| Kinetic stress (33) | 9.361438599000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 2.999999554331723e-12 | PASS |
| Hartree stress (11) | 8.859962934000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999999960041972e-13 | PASS |
| Hartree stress (12) | 3.393143840000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.393143840000000e-19 | PASS |
| Hartree stress (13) | -3.451122701000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.451122701000000e-20 | PASS |
| Hartree stress (21) | 3.393143840000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.393143840000000e-19 | PASS |
| Hartree stress (22) | 8.859962934000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999999960041972e-13 | PASS |
| Hartree stress (23) | -1.849801768000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.849801768000000e-20 | PASS |
| Hartree stress (31) | -3.451122701000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.451122701000000e-20 | PASS |
| Hartree stress (32) | -1.849801768000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.849801768000000e-20 | PASS |
| Hartree stress (33) | 8.859962934000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999999960041972e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 2.275596364000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.275596364000000e-20 | PASS |
| XC stress (13) | -2.234684673000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.234684673000000e-20 | PASS |
| XC stress (21) | 2.275596364000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.275596364000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -1.605169787000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.605169787000000e-20 | PASS |
| XC stress (31) | -2.234684673000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.234684673000000e-20 | PASS |
| XC stress (32) | -1.605169787000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.605169787000000e-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) | -5.662478937000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | -3.800000028184036e-12 | PASS |
| Stress (12) | 1.935902432000000e-15 | 9.677328992000001e-16 | 1.060000000000000e-15 | 9.681695327999999e-16 | PASS |
| Stress (13) | -8.908682695000000e-15 | -4.453374438000000e-15 | 4.900000000000000e-15 | -4.455308257000000e-15 | PASS |
| Stress (21) | 1.935902446000000e-15 | 9.677329061999999e-16 | 1.060000000000000e-15 | 9.681695398000001e-16 | PASS |
| Stress (22) | -5.662478937000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | -3.750000093435957e-12 | PASS |
| Stress (23) | 4.790402913000000e-15 | 2.394370517000000e-15 | 2.640000000000000e-15 | 2.396032396000000e-15 | PASS |
| Stress (31) | -8.908682693000001e-15 | -4.453374436000000e-15 | 4.900000000000000e-15 | -4.455308257000001e-15 | PASS |
| Stress (32) | 4.790402913000000e-15 | 2.394370517000000e-15 | 2.640000000000000e-15 | 2.396032396000000e-15 | PASS |
| Stress (33) | -5.662478940000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | -3.849999962932116e-12 | PASS |