Match Born charge O ZZ w=0.1
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
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)