Match Born charge diff
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_serial_min >
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)