Input 05-forces.02-Na2_go.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Total energy | -3.599781000000000e-01 | -3.599781000000000e-01 | 1.800000000000000e-06 | 0.000000000000000e+00 | PASS |
| Force [1] | -3.922076660000000e-04 | -3.922076660000000e-04 | 1.960000000000000e-11 | 5.421010862427522e-20 | PASS |
| Force [2] | 3.922076660000000e-04 | 3.922076660000000e-04 | 1.960000000000000e-11 | -5.421010862427522e-20 | PASS |
| Geometry [1] | -1.380886000000000e+00 | -1.380886000000000e+00 | 6.900000000000000e-06 | 0.000000000000000e+00 | PASS |
| Geometry [2] | 1.380886000000000e+00 | 1.380886000000000e+00 | 6.900000000000000e-06 | 0.000000000000000e+00 | PASS |