Match Born charge O YY w=0.0
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2022a_ppc >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-3.422950000000000e-01 | -3.422950000000000e-01 | 1.710000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 6, 2)