Match Born charge O XX w=0.1
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss-mpi-min: [foss2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.927040000000000e-01 | -1.927040000000000e-01 | 9.640000000000000e-08 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 3, 1)