Input 30-stress.02-gamma_point.inp
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478890000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | -9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959414000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -6.000000141170858e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | -7.771561172000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576488938882800e-15 | PASS |
| Kinetic stress (13) | -2.870967353000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925083777735300e-15 | PASS |
| Kinetic stress (21) | -7.771561172000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576488938882800e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | -4.423544864000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.077689128136000e-16 | PASS |
| Kinetic stress (31) | -2.870967353000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.925083777735300e-15 | PASS |
| Kinetic stress (32) | -4.423544864000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.077689128136000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962920000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.000000200857223e-13 | PASS |
| Hartree stress (12) | 8.696829207000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.696829207000000e-20 | PASS |
| Hartree stress (13) | 3.036987977000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.036987977000000e-21 | PASS |
| Hartree stress (21) | 8.696829207000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.696829207000000e-20 | PASS |
| Hartree stress (22) | 8.859962920000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.000000200857223e-13 | PASS |
| Hartree stress (23) | 2.760898161000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.760898161000000e-21 | PASS |
| Hartree stress (31) | 3.036987977000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.036987977000000e-21 | PASS |
| Hartree stress (32) | 2.760898161000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.760898161000000e-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) | 4.911097028000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.911097028000000e-21 | PASS |
| XC stress (13) | -3.325281944000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.325281944000000e-20 | PASS |
| XC stress (21) | 4.911097028000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.911097028000000e-21 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -7.527242989000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.527242989000000e-20 | PASS |
| XC stress (31) | -3.325281944000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.325281944000000e-20 | PASS |
| XC stress (32) | -7.527242989000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.527242989000000e-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) | -5.662478889000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 9.999999960041972e-13 | PASS |
| Stress (12) | 1.772991229000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.659599079710001e-16 | PASS |
| Stress (13) | 4.593951518000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453833833151800e-15 | PASS |
| Stress (21) | 1.773004782000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.659599014180000e-16 | PASS |
| Stress (22) | -5.662478892000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 7.499999970031479e-13 | PASS |
| Stress (23) | 7.210212243000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393649495775700e-15 | PASS |
| Stress (31) | 4.593968395000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453833832839499e-15 | PASS |
| Stress (32) | 7.210211780000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393649495822000e-15 | PASS |
| Stress (33) | -5.662478890000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 1.150000017088870e-12 | PASS |