Match Born charge O ZZ w=0.0
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| -3.192400000000000e-02 | -3.192400000000000e-02 | 1.600000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)