Match Born charge O ZZ w=0.0
Commits >
Commit 272b4a0a8b91655b34bab94e510ca8e907b71a4f >
Run eb_intel-2022a_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)