Match Born charge O ZZ w=0.0
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.192400000000000e-02 | -3.192400000000000e-02 | 1.600000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 5, 3)