Match Born charge O ZZ w=0.0
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run cmake_foss_2022a_min_mpi >
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)