Match Born charge O YY w=0.1
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Run cmake_foss_2022a_full_serial >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-3.766880000000000e-01 | -3.766880000000000e-01 | 1.880000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)