Input 30-stress.02-gamma_point.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478880000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 2.999999988012592e-12 | PASS |
| Pressure (GPa) | 1.665959412000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | 1.153049010000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577381399901000e-15 | PASS |
| Kinetic stress (13) | -6.987512240000000e-16 | -8.541147970000002e-16 | 5.350000000000000e-15 | 1.553635730000001e-16 | PASS |
| Kinetic stress (21) | 1.153049010000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577381399901000e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -6.443663745000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -5.951624555500000e-15 | PASS |
| Kinetic stress (31) | -6.987512240000000e-16 | -8.541147970000002e-16 | 5.350000000000000e-15 | 1.553635730000001e-16 | PASS |
| Kinetic stress (32) | -6.443663745000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -5.951624555500000e-15 | 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) | 1.761453027000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.761453027000000e-19 | PASS |
| Hartree stress (13) | -5.218097524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.218097524000000e-20 | PASS |
| Hartree stress (21) | 1.761453027000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.761453027000000e-19 | PASS |
| Hartree stress (22) | 8.859962926000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 1.999999558327525e-13 | PASS |
| Hartree stress (23) | 6.626155586000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.626155586000000e-21 | PASS |
| Hartree stress (31) | -5.218097524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.218097524000000e-20 | PASS |
| Hartree stress (32) | 6.626155586000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.626155586000000e-21 | 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) | -3.306244879000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.306244879000000e-20 | PASS |
| XC stress (13) | -7.041596649000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.041596649000000e-21 | PASS |
| XC stress (21) | -3.306244879000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.306244879000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 3.640102915000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.640102915000000e-20 | PASS |
| XC stress (31) | -7.041596649000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.041596649000000e-21 | PASS |
| XC stress (32) | 3.640102915000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.640102915000000e-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) | -5.662478886000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -2.999999988012592e-12 | PASS |
| Stress (12) | 1.368335974000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.675960656026001e-16 | PASS |
| Stress (13) | 1.387294453000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -3.148908349999999e-16 | PASS |
| Stress (21) | 1.368471503000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.675960590497000e-16 | PASS |
| Stress (22) | -5.662478883000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -3.099999965928968e-12 | PASS |
| Stress (23) | 1.269215315000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | 1.151815469500000e-14 | PASS |
| Stress (31) | 1.387294455000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -3.148908329999999e-16 | PASS |
| Stress (32) | 1.269215315000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | 1.151815469500000e-14 | PASS |
| Stress (33) | -5.662478879000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -2.800000032179839e-12 | PASS |