Match Born charge O ZZ w=0.0
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run intel-2022a_impi >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.299400000000000e-02 | -3.299400000000000e-02 | 1.650000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 7, 3)