Match Born charge O YY w=0.1
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2023a_mpi >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -3.766880000000000e-01 | -3.766880000000000e-01 | 1.880000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)