Match Born charge diff
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run intel-2022b >
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)