Match Born charge diff
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2023a_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)