Match Born charge O XX w=0.0

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2023a_impi > Input 06-h2o_pol_lr.03_emresp.inp
Value Reference Precision Status
-4.941120000000000e-01 -4.941120000000000e-01 2.470000000000000e-05 PASS
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 1)
Compare to other runs.