User guide

This is the masci-tools user’s guide.

• Using the Fleur input/output parsers
  • Parser for the Fleur inp.xml file
  • Parser for the Fleur out.xml file
  • XML getter functions
  • Using the schema_dict_util functions
• FleurXMLModifier
  • Description
  • Usage
  • User Methods
  • Modifying the density matrix for LDA+U calculations
• General HDF5 file reader
  • Basic Usage
  • Structure of recipes for the reader.HDF5Reader
• Plotting Fleur DOS/bandstructures
  • Reading banddos.hdf files
  • Bandstructures
  • Density of States
• Plotting KKR DOS/bandstructures
  • Density of states
  • Bandstructure
• General Plotting routines
  • Available Routines
  • Providing Data
  • Customizing Plots