Input 30-stress.02-gamma_point.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478890000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959413000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.000000223911229e-08 | PASS |
| Kinetic stress (11) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (12) | -2.211853747000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575054241253000e-15 | PASS |
| Kinetic stress (13) | 2.297992553000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | 3.152107350000000e-15 | PASS |
| Kinetic stress (21) | -2.211853747000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575054241253000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -3.955233276000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463194086500000e-15 | PASS |
| Kinetic stress (31) | 2.297992553000000e-15 | -8.541147970000002e-16 | 3.500000000000000e-15 | 3.152107350000000e-15 | PASS |
| Kinetic stress (32) | -3.955233276000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.463194086500000e-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) | -1.187186209000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.187186209000000e-20 | PASS |
| Hartree stress (13) | 1.214795191000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.214795191000000e-20 | PASS |
| Hartree stress (21) | -1.187186209000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.187186209000000e-20 | PASS |
| Hartree stress (22) | 8.859962931000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 6.999999538348511e-13 | PASS |
| Hartree stress (23) | 4.417437058000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.417437058000000e-21 | PASS |
| Hartree stress (31) | 1.214795191000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.214795191000000e-20 | PASS |
| Hartree stress (32) | 4.417437058000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.417437058000000e-21 | 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) | -8.326757388000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.326757388000000e-20 | PASS |
| XC stress (13) | -5.898144522000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.898144522000000e-20 | PASS |
| XC stress (21) | -8.326757388000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.326757388000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 4.728984945000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.728984945000000e-21 | PASS |
| XC stress (31) | -5.898144522000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.898144522000000e-20 | PASS |
| XC stress (32) | 4.728984945000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.728984945000000e-21 | 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) | -4.523568278000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568278000000e-19 | PASS |
| Ion-ion stress (13) | 8.918692209000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918692209000000e-20 | PASS |
| Ion-ion stress (21) | -4.523568807000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.523568807000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 8.963465368000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963465368000000e-20 | PASS |
| Ion-ion stress (31) | 8.918689560000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.918689560000000e-20 | PASS |
| Ion-ion stress (32) | 8.963464045000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.963464045000000e-20 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478888000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.200000052265561e-12 | PASS |
| Stress (12) | 5.172892445000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.625600067550002e-16 | PASS |
| Stress (13) | -4.454973985000000e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | -6.157159273000000e-15 | PASS |
| Stress (21) | 5.172892498000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.625600137020000e-16 | PASS |
| Stress (22) | -5.662478886000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -3.399999899678097e-12 | PASS |
| Stress (23) | 7.800506048000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626507593000000e-15 | PASS |
| Stress (31) | -4.454973985000000e-15 | 1.702185288000000e-15 | 6.770000000000000e-15 | -6.157159273000000e-15 | PASS |
| Stress (32) | 7.800506048000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.626507593000000e-15 | PASS |
| Stress (33) | -5.662478890000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -3.900000006100413e-12 | PASS |