Match Born charge O XX w=0.0

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_mpi_omp > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value Reference Precision Status
-1.514420000000000e-01 -1.514440000000000e-01 7.570000000000000e-06 PASS
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 3, 1)
Compare to other runs.