Source code Documentation (API reference)

• Fleur input generator plug-in
  • Fleurinputgen Calculation
  • Fleurinputgen Parser
• Fleur-code plugin
  • Fleur Calculation
  • Fleur Parser
• Fleur input Data structure
  • Fleur input Data structure
  • Fleurinp modifier
• Workflows/Workchains
  • Base: Fleur-Base WorkChain
  • SCF: Fleur-Scf WorkChain
  • BandDos: Bandstructure WorkChain
  • DOS: Density of states WorkChain
  • EOS: Calculate a lattice constant
  • Relax: Relaxation of a Cystalstructure WorkChain
  • initial_cls: Caluclation of inital corelevel shifts
  • corehole: Performance of coreholes calculations
  • MAE: Force-theorem calculation of magnetic anisotropy energies
  • MAE Conv: Self-consistent calculation of magnetic anisotropy energies
  • SSDisp: Force-theorem calculation of spin spiral dispersion
  • SSDisp Conv: Self-consistent calculation of spin spiral dispersion
  • DMI: Force-theorem calculation of Dzjaloshinskii-Moriya interaction energy dispersion
  • OrbControl: Self-consistent calculation of groundstate density matrix with LDA+U
  • CFCoeff: Calculation of 4f crystal field coefficients
• Commandline interface (CLI)
  • aiida-fleur
    • data
    • launch
    • plot
    • workflow
• Fleur tools/utility
  • Structure Data util
  • XML utility
  • Parameter utility
    • General Parameter
    • Merge Parameter
  • Corehole/level utility
  • Common aiida utility
  • Reading in Cif files
  • IO routines
  • Common utitlity for fleur workchains