Match Born charge O ZZ w=0.1
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
1.307900000000000e-01 | 1.307900000000000e-01 | 1.310000000000000e-08 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 3)