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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 »
  • Python Module Index

Python Module Index

a | w
 
a
- aimstools
    aimstools.bandstructures.brillouinezone
    aimstools.bandstructures.mulliken_bandstructure
    aimstools.bandstructures.regular_bandstructure
    aimstools.bandstructures.utilities
    aimstools.density_of_states.density_of_states
    aimstools.density_of_states.utilities
    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
 
w
- workflows
    workflows.kpoint_convergence

© Copyright 2019, Roman Kempt Revision b9e2c4fb.

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