Match Born charge O YY w=-0.2
Commits >
Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 >
Run spack_foss-2023a_mpi >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
| Value | Reference | Precision | Status |
| -6.263290000000000e-01 | -6.263300000000001e-01 | 3.130000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_-0.2000/born_charges, 6, 2)