Match Born charge diff
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
Run spack_foss-2022a_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)