Input 30-stress.02-gamma_point.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478900000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 4.999999980020986e-12 | PASS |
| Pressure (GPa) | 1.665959418000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -2.000000165480742e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -8.326672685000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576433427731500e-15 | PASS |
| Kinetic stress (13) | 2.688821388000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.543836791388002e-16 | PASS |
| Kinetic stress (21) | -8.326672685000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576433427731500e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | 1.387778781000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921779673781000e-16 | PASS |
| Kinetic stress (31) | 2.688821388000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.543836791388002e-16 | PASS |
| Kinetic stress (32) | 1.387778781000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921779673781000e-16 | PASS |
| Kinetic stress (33) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 8.859962923000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000863365935e-13 | PASS |
| Hartree stress (12) | 1.072529128000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.072529128000000e-19 | PASS |
| Hartree stress (13) | -1.024476330000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.024476330000000e-20 | PASS |
| Hartree stress (21) | 1.072529128000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.072529128000000e-19 | PASS |
| Hartree stress (22) | 8.859962923000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000863365935e-13 | PASS |
| Hartree stress (23) | -7.039855571000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.039855571000000e-21 | PASS |
| Hartree stress (31) | -1.024476330000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.024476330000000e-20 | PASS |
| Hartree stress (32) | -7.039855571000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.039855571000000e-21 | PASS |
| Hartree stress (33) | 8.859962923000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000863365935e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -2.562012417000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.562012417000000e-20 | PASS |
| XC stress (13) | 4.737536655000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.737536655000000e-21 | PASS |
| XC stress (21) | -2.562012417000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.562012417000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 4.990980373000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.990980373000000e-20 | PASS |
| XC stress (31) | 4.737536655000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.737536655000000e-21 | PASS |
| XC stress (32) | 4.990980373000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.990980373000000e-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) | -5.662478906000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -4.999999980020986e-12 | PASS |
| Stress (12) | 1.494527377000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.662383718230002e-16 | PASS |
| Stress (13) | -3.920825252000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702577370525200e-15 | PASS |
| Stress (21) | 1.494540904000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.662383652959999e-16 | PASS |
| Stress (22) | -5.662478902000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -4.999999871600769e-12 | PASS |
| Stress (23) | 7.021183417000000e-20 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173928243165830e-15 | PASS |
| Stress (31) | -3.920808309000000e-19 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.702577368830900e-15 | PASS |
| Stress (32) | 7.021180773000000e-20 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173928243192270e-15 | PASS |
| Stress (33) | -5.662478901000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -4.999999980020986e-12 | PASS |