Match Born charge O ZZ w=0.1
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run spack_foss-2023a_mpi_opt >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -6.771520000000000e-01 | -6.771520000000000e-01 | 3.390000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)