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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
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© Copyright 2019, Roman Kempt Revision b9e2c4fb.

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