Match Born charge O ZZ w=0.0
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022a_omp_impi >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.217200000000000e-02 | -3.217000000000000e-02 | 1.610000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)