Input 30-stress.02-gamma_point.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-min-parallel-zen4: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478930000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 7.999999968033578e-12 | PASS |
| Pressure (GPa) | 1.665959426000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 5.999999785899490e-08 | PASS |
| Kinetic stress (11) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | -5.551115123000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577210583848770e-15 | PASS |
| Kinetic stress (13) | -5.551115123000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540592858487701e-16 | PASS |
| Kinetic stress (21) | -5.551115123000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577210583848770e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 1.498801083000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.935379905830000e-16 | PASS |
| Kinetic stress (31) | -5.551115123000000e-20 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.540592858487701e-16 | PASS |
| Kinetic stress (32) | 1.498801083000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.935379905830000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962905000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.900000014092018e-12 | PASS |
| Hartree stress (12) | 3.479772710000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.479772710000000e-19 | PASS |
| Hartree stress (13) | -2.786809034000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.786809034000000e-21 | PASS |
| Hartree stress (21) | 3.479772710000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.479772710000000e-19 | PASS |
| Hartree stress (22) | 8.859962905000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.900000014092018e-12 | PASS |
| Hartree stress (23) | -6.064674281000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.064674281000000e-21 | PASS |
| Hartree stress (31) | -2.786809034000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.786809034000000e-21 | PASS |
| Hartree stress (32) | -6.064674281000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.064674281000000e-21 | PASS |
| Hartree stress (33) | 8.859962905000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.900000014092018e-12 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | 2.520410248000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.520410248000000e-20 | PASS |
| XC stress (13) | 4.821101644000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.821101644000000e-21 | PASS |
| XC stress (21) | 2.520410248000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.520410248000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 2.318119284000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.318119284000000e-21 | PASS |
| XC stress (31) | 4.821101644000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.821101644000000e-21 | PASS |
| XC stress (32) | 2.318119284000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.318119284000000e-21 | PASS |
| XC stress (33) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| Ion-ion stress (11) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | -4.451112881000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451112881000000e-19 | PASS |
| Ion-ion stress (13) | 6.623349638000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623349638000000e-20 | PASS |
| Ion-ion stress (21) | -4.451248145000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.451248145000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -1.229906970000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906970000000e-19 | PASS |
| Ion-ion stress (31) | 6.623180208000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.623180208000000e-20 | PASS |
| Ion-ion stress (32) | -1.229906706000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.229906706000000e-19 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478928000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -7.200000036282350e-12 | PASS |
| Stress (12) | 6.572556228000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.670756435772001e-16 | PASS |
| Stress (13) | -9.298675416999999e-21 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702194586675417e-15 | PASS |
| Stress (21) | 6.572691493000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.670756370506999e-16 | PASS |
| Stress (22) | -5.662478931000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -7.899999881696984e-12 | PASS |
| Stress (23) | -1.832965337000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175831420337000e-15 | PASS |
| Stress (31) | -9.296981120000000e-21 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702194584981120e-15 | PASS |
| Stress (32) | -1.832965363000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.175831420363000e-15 | PASS |
| Stress (33) | -5.662478935000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -8.399999988119300e-12 | PASS |