Match Born charge O YY w=0.1
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-4.036320000000000e-01 | -4.036320000000000e-01 | 2.020000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 4, 2)