Match Born charge diff
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 05-polarizability.03-finite-diff.inp
Value | Reference | Precision | Status |
3.982000000000000e-03 | 3.982000000000000e-03 | 1.990000000000000e-05 | PASS |
Command: GREPFIELD(em_resp_fd/born_charges, "Discrepancy", 3, 4)