Match Born charge diff
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run cmake_foss_2022a_min_serial >
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)