Match Born charge O YY w=0.0
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run eb_foss-2022a_valgrind >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.496020000000000e-01 | -3.496040000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)