Match Born charge diff
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2023a_mpi_opt >
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)