Input 30-stress.02-gamma_point.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
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) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -8.881784197000001e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576377916580300e-15 | PASS |
| Kinetic stress (13) | 4.440892099000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.545588862099002e-16 | PASS |
| Kinetic stress (21) | -8.881784197000001e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576377916580300e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -6.245004514000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.914146890486000e-16 | PASS |
| Kinetic stress (31) | 4.440892099000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.545588862099002e-16 | PASS |
| Kinetic stress (32) | -6.245004514000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.914146890486000e-16 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962927000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.999999337491288e-13 | PASS |
| Hartree stress (12) | -3.313667181000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.313667181000000e-20 | PASS |
| Hartree stress (13) | 1.516154827000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.516154827000000e-20 | PASS |
| Hartree stress (21) | -3.313667181000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.313667181000000e-20 | PASS |
| Hartree stress (22) | 8.859962927000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.999999337491288e-13 | PASS |
| Hartree stress (23) | -9.549553082000001e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.549553082000001e-22 | PASS |
| Hartree stress (31) | 1.516154827000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.516154827000000e-20 | PASS |
| Hartree stress (32) | -9.549553082000001e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.549553082000001e-22 | PASS |
| Hartree stress (33) | 8.859962927000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.999999337491288e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -1.654114082000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.654114082000000e-20 | PASS |
| XC stress (13) | 6.802662863000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.802662863000000e-20 | PASS |
| XC stress (21) | -1.654114082000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.654114082000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -2.353720945000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.353720945000000e-20 | PASS |
| XC stress (31) | 6.802662863000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.802662863000000e-20 | PASS |
| XC stress (32) | -2.353720945000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.353720945000000e-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) | -4.451112881000000e-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) | -5.662478883000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -2.700000054263463e-12 | PASS |
| Stress (12) | 1.631302834000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.661015963660002e-16 | PASS |
| Stress (13) | -3.575124933000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702542800493300e-15 | PASS |
| Stress (21) | 1.631316361000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.661015898390000e-16 | PASS |
| Stress (22) | -5.662478886000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -3.399999899678097e-12 | PASS |
| Stress (23) | 6.370866144000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173361368385600e-15 | PASS |
| Stress (31) | -3.575107990000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702542798799000e-15 | PASS |
| Stress (32) | 6.370865880000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173361368412000e-15 | PASS |
| Stress (33) | -5.662478887000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -3.599999963931066e-12 | PASS |