Match Born charge O ZZ w=0.1
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
1.195110000000000e-01 | 1.195110000000000e-01 | 5.980000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)