Match Born charge O YY w=0.0
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2023a_mpi_min >
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)