Match Born charge O XX w=0.0
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_mpi >
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)