Match Born charge O YY w=0.0
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-3.496020000000000e-01 | -3.496040000000000e-01 | 1.750000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 4, 2)