Match Born charge O YY w=0.1
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_foss-2022a_mpi >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-4.078800000000000e-01 | -4.078800000000000e-01 | 2.040000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 6, 2)