Input 30-stress.02-gamma_point.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_autotools: [foss2022a-cuda-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) | 1.665959417000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -3.000000248221113e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -6.103136659000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.571162958341000e-15 | PASS |
| Kinetic stress (13) | 1.272359198000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126473995000000e-15 | PASS |
| Kinetic stress (21) | -6.103136659000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.571162958341000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | 5.455707175000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.947746364500000e-15 | PASS |
| Kinetic stress (31) | 1.272359198000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 2.126473995000000e-15 | PASS |
| Kinetic stress (32) | 5.455707175000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | 5.947746364500000e-15 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (12) | -1.694708326000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.694708326000000e-19 | PASS |
| Hartree stress (13) | -1.608224374000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.608224374000000e-21 | PASS |
| Hartree stress (21) | -1.694708326000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.694708326000000e-19 | PASS |
| Hartree stress (22) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| Hartree stress (23) | 2.150555803000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.150555803000000e-21 | PASS |
| Hartree stress (31) | -1.608224374000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.608224374000000e-21 | PASS |
| Hartree stress (32) | 2.150555803000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.150555803000000e-21 | PASS |
| Hartree stress (33) | 8.859962925000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 9.999997791637627e-14 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 6.770205700000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.770205700000000e-20 | PASS |
| XC stress (13) | 1.180090378000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.180090378000000e-19 | PASS |
| XC stress (21) | 6.770205700000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.770205700000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -2.385521658000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.385521658000000e-20 | PASS |
| XC stress (31) | 1.180090378000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.180090378000000e-19 | PASS |
| XC stress (32) | -2.385521658000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.385521658000000e-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) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (13) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (21) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (31) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (32) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478896000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.999999984016789e-12 | PASS |
| Stress (12) | 1.171972650000000e-17 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.560131727000001e-16 | PASS |
| Stress (13) | -2.474492755000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.176678043000000e-15 | PASS |
| Stress (21) | 1.171972650000000e-17 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.560131796999999e-16 | PASS |
| Stress (22) | -5.662478900000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -4.799999915768016e-12 | PASS |
| Stress (23) | -1.033666461000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.151066306500000e-14 | PASS |
| Stress (31) | -2.474492755000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -4.176678043000000e-15 | PASS |
| Stress (32) | -1.033666461000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.151066306500000e-14 | PASS |
| Stress (33) | -5.662478900000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -4.900000002104610e-12 | PASS |