Input 30-stress.02-gamma_point.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478910000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959419000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.000000082740371e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | 4.163336342000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577307728363420e-15 | PASS |
| Kinetic stress (13) | 1.498801083000000e-18 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.923297879917000e-15 | PASS |
| Kinetic stress (21) | 4.163336342000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577307728363420e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 4.059252934000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.086171925934000e-16 | PASS |
| Kinetic stress (31) | 1.498801083000000e-18 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.923297879917000e-15 | PASS |
| Kinetic stress (32) | 4.059252934000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.086171925934000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| Hartree stress (12) | 2.903532411000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.903532411000000e-19 | PASS |
| Hartree stress (13) | -1.351516921000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.351516921000000e-20 | PASS |
| Hartree stress (21) | 2.903532411000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.903532411000000e-19 | PASS |
| Hartree stress (22) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| Hartree stress (23) | 1.839383241000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.839383241000000e-21 | PASS |
| Hartree stress (31) | -1.351516921000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.351516921000000e-20 | PASS |
| Hartree stress (32) | 1.839383241000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.839383241000000e-21 | PASS |
| Hartree stress (33) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | 3.870834368000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.870834368000000e-20 | PASS |
| XC stress (13) | -4.195629796000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.195629796000000e-20 | PASS |
| XC stress (21) | 3.870834368000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.870834368000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 2.408347281000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.408347281000000e-20 | PASS |
| XC stress (31) | -4.195629796000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.195629796000000e-20 | PASS |
| XC stress (32) | 2.408347281000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.408347281000000e-20 | 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) | -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) | -5.662478908000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | -9.000000180878209e-13 | PASS |
| Stress (12) | 1.226461285000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.665064379150001e-16 | PASS |
| Stress (13) | -1.516905370000000e-18 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.451857532630000e-15 | PASS |
| Stress (21) | 1.226461285000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.665064449149999e-16 | PASS |
| Stress (22) | -5.662478910000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | -1.050000039172494e-12 | PASS |
| Stress (23) | -6.788508634000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395049367863400e-15 | PASS |
| Stress (31) | -1.516905370000000e-18 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.451857530629999e-15 | PASS |
| Stress (32) | -6.788508634000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395049367863400e-15 | PASS |
| Stress (33) | -5.662478906000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | -4.499999548338018e-13 | PASS |