Match Born charge O YY w=0.0
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-3.459000000000000e-01 | -3.459000000000000e-01 | 1.730000000000000e-03 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 6, 2)