| scaler_xtal_field | 0.62 | # scale Xtal field charges to parametrize the ligand field |
| scaler_coulomb | 1.0 | # scale first principles matrix elements el-el interaction, for screening
|
scaler_so_coupling | 1.0 |
# scale first principles matrix elements for S-O coupling for screening
|
| temperature | 15 | # [K] Temperature
|
| ins_broad | 10.0 | # [meV] Lorentzian lifetime broadening
|
| spect_emin | -15 | # [meV] in the case ot INS, low end of spectrum
|
| spect_emax | +95 | # [meV] in the case ot INS, high end of spectrum
|
| xtal_file | ligands_Ho1 | # a point charge model file, nominal charges, large cutoff radius
|