Match Born charge O YY w=0.0
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2023a_mpi >
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)