Welcome to DFT Tools’ documentation!

DFT Tools is a python library for parsing, post-processing and presenting numerical data generated by simulation codes in physics and chemistry. The abbreviation ‘DFT’ comes from the denisty function theory being implemented in these codes.

With DFT Tools you will be able to:

• parse numerical data from textual output such as band structures, data on the grid, etc.;
• manipulate the data: build supercells, calculate density of states, etc.;
• visualise the data;

Contents:

• Introduction to DFT Tools
• Getting started
  • Installing
  • Using
• Examples
  • Atomic structure
  • Band structure
  • Data on the grid
• Package contents
  • dfttools
  • dfttools.parsers
• Contributing to DFT Tools

Indices and tables

• Index
• Module Index
• Search Page