Match Born charge diff
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Run spack_foss-2023a_mpi_omp >
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)