Match Born charge O ZZ w=0.1
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_mpi >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
1.328250000000000e-01 | 1.328250000000000e-01 | 6.640000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)