Input 30-stress.02-gamma_point.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478860000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959406000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.400000009255109e-07 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | 4.180527723000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.581446622723000e-15 | PASS |
| Kinetic stress (13) | -5.716912502000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | -4.862797705000000e-15 | PASS |
| Kinetic stress (21) | 4.180527723000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.581446622723000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | 3.896951121000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.388990310500000e-15 | PASS |
| Kinetic stress (31) | -5.716912502000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | -4.862797705000000e-15 | PASS |
| Kinetic stress (32) | 3.896951121000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.388990310500000e-15 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| Hartree stress (12) | -5.117797407000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.117797407000000e-20 | PASS |
| Hartree stress (13) | -1.055898181000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.055898181000000e-21 | PASS |
| Hartree stress (21) | -5.117797407000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.117797407000000e-20 | PASS |
| Hartree stress (22) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| Hartree stress (23) | -1.492352431000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.492352431000000e-20 | PASS |
| Hartree stress (31) | -1.055898181000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.055898181000000e-21 | PASS |
| Hartree stress (32) | -1.492352431000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.492352431000000e-20 | PASS |
| Hartree stress (33) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -2.738083369000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.738083369000000e-20 | PASS |
| XC stress (13) | -5.513640931000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.513640931000000e-20 | PASS |
| XC stress (21) | -2.738083369000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.738083369000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 5.544607130000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.544607130000000e-20 | PASS |
| XC stress (31) | -5.513640931000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.513640931000000e-20 | PASS |
| XC stress (32) | 5.544607130000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.544607130000000e-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) | -5.498299514000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.498299514000000e-19 | PASS |
| Ion-ion stress (13) | 1.027344596000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.027344596000000e-19 | PASS |
| Ion-ion stress (21) | -5.498299514000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.498299514000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -8.112874089000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.112874089000001e-21 | PASS |
| Ion-ion stress (31) | 1.027344596000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.027344596000000e-19 | PASS |
| Ion-ion stress (32) | -8.112874089000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.112874089000001e-21 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478857000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -9.999997791637627e-14 | PASS |
| Stress (12) | -7.789102973000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.755220021730002e-16 | PASS |
| Stress (13) | 1.110598014000000e-14 | 1.702185288000000e-15 | 1.030000000000000e-14 | 9.403794852000000e-15 | PASS |
| Stress (21) | -7.789102973000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.755220091730000e-16 | PASS |
| Stress (22) | -5.662478866000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -1.399999907669702e-12 | PASS |
| Stress (23) | -7.514664753000001e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | -8.688663208000001e-15 | PASS |
| Stress (31) | 1.110598014000000e-14 | 1.702185288000000e-15 | 1.030000000000000e-14 | 9.403794852000000e-15 | PASS |
| Stress (32) | -7.514664753000001e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | -8.688663208000001e-15 | PASS |
| Stress (33) | -5.662478866000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -1.499999994006296e-12 | PASS |