Match Born charge O XX w=0.1
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| -5.311500000000000e-01 | -5.311500000000000e-01 | 2.660000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)