Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.662194551920945e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.508019945288714e-15 | PASS |
| Multipoles [step 20] | -1.265537116546922e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 2.137179322403426e-15 | PASS |
| Forces [step 1] | 8.537674454622568e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353646e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 2.220446049250313e-16 | PASS |