Input 30-stress.02-gamma_point.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478870000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 1.999999992008394e-12 | PASS |
| Pressure (GPa) | 1.665959407000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.300000000981072e-07 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | 9.436895708999999e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578209784570900e-15 | PASS |
| Kinetic stress (13) | -1.561251128000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.525535458720001e-16 | PASS |
| Kinetic stress (21) | 9.436895708999999e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578209784570900e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | -5.551115123000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.914840779876999e-16 | PASS |
| Kinetic stress (31) | -1.561251128000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.525535458720001e-16 | PASS |
| Kinetic stress (32) | -5.551115123000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.914840779876999e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (12) | -4.030911315000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.030911315000000e-20 | PASS |
| Hartree stress (13) | -8.282694483000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.282694483000000e-21 | PASS |
| Hartree stress (21) | -4.030911315000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.030911315000000e-20 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | -3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.589167609000000e-21 | PASS |
| Hartree stress (31) | -8.282694483000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.282694483000000e-21 | PASS |
| Hartree stress (32) | -3.589167609000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.589167609000000e-21 | PASS |
| Hartree stress (33) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 1.185359082000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.185359082000000e-20 | PASS |
| XC stress (13) | 1.358831430000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.358831430000000e-20 | PASS |
| XC stress (21) | 1.185359082000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.185359082000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 1.976826668000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.976826668000000e-20 | PASS |
| XC stress (31) | 1.358831430000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.358831430000000e-20 | PASS |
| XC stress (32) | 1.976826668000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.976826668000000e-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) | -5.662478865000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -9.000000180878209e-13 | PASS |
| Stress (12) | -9.626463242000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.686955455242002e-16 | PASS |
| Stress (13) | 2.003257835000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.700182030165000e-15 | PASS |
| Stress (21) | -9.626327713000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.686955389712999e-16 | PASS |
| Stress (22) | -5.662478866000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -1.399999907669702e-12 | PASS |
| Stress (23) | 6.227989716000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173375656028400e-15 | PASS |
| Stress (31) | 2.003259523000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.700182028477000e-15 | PASS |
| Stress (32) | 6.227989253000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173375656074700e-15 | PASS |
| Stress (33) | -5.662478865000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -1.400000016089920e-12 | PASS |