Match Born charge O YY w=0.1
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-4.029470000000000e-01 | -4.029470000000000e-01 | 2.010000000000000e-05 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)