Match Born charge O ZZ w=0.0
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-omp-full: [foss2023a-serial] >
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)