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Introduction:

  • Tools for FHI-aims - aimstools
  • FHI-aims python environment

Command-line tools:

  • Preparing FHI-aims calculations
  • Automated Workflows
  • Visualizing Results

Workflows:

  • Converging the k-point density
  • Geometry Optimizations

Examples:

  • Structure Analysis
  • Plotting Band Structures
  • Plotting DOS Projections
  • Plotting Mulliken-Projected Band Structures
  • Plotting Phonons
  • Absorption spectra via the linear macroscopic dielectric function

Modules

  • Structuretools
  • Preparation
  • Postprocessing
  • Bandstructures
  • Density of States
  • Phonons
  • Dielectric Function
  • Workflows
aimstools
  • Docs »
  • Overview: module code

All modules for which code is available

  • aimstools.bandstructures.bandstructure
  • aimstools.bandstructures.brillouinezone
  • aimstools.bandstructures.mulliken_bandstructure
  • aimstools.bandstructures.regular_bandstructure
  • aimstools.bandstructures.utilities
  • aimstools.density_of_states.atom_proj_dos
  • aimstools.density_of_states.density_of_states
  • aimstools.density_of_states.species_proj_dos
  • aimstools.density_of_states.total_dos
  • aimstools.density_of_states.utilities
  • aimstools.dielectric_function.absorption
  • aimstools.phonons.phonons
  • aimstools.phonons.utilities
  • aimstools.postprocessing.charge_analysis
  • aimstools.postprocessing.output_reader
  • aimstools.preparation.aims_setup
  • aimstools.preparation.utilities
  • aimstools.preparation.vibes_setup
  • aimstools.structuretools.structure
  • aimstools.structuretools.tools
  • workflows.kpoint_convergence

© Copyright 2019, Roman Kempt Revision b9e2c4fb.

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