Parameters

In this section, we will introduce all of the parameters which can be used in the atom.config.in file. The JASMINE component will parse this file and use the setting in it to override the default ones.

Classification of the parameters:

• Diagonalization algorithms
  • ibasis
  • ictqmc
  • nmini
  • nmaxi
• Hilbert space
  • nband
  • nspin
  • norbs
  • ncfgs
• Coulomb interaction
  • icu
  • Uc
  • Uv
  • Jz
  • Js
  • Jp
  • Ud
  • Jh
• Spin-orbit coupling
  • isoc
  • lambda
• Crystal field splitting
  • icf
  • mune