Match Born charge O ZZ w=0.0
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run intel-2022b_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)