Match Born charge 5 XX w=0.1
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run intel_autotools: [intel2023a-serial] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-3.096609000000000e+00 | -3.096609000000000e+00 | 1.550000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Index: 5", 1, 2)