Match Born charge diff w=0.1
Commits >
Commit 4734601181c172f8af4ddcf257c21a40c36073a9 >
Run intel_autotools: [intel2023a-serial] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.395780000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 10)