Match Born charge O ZZ w=0.1
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_mpi_debug >
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)