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GUI4dft

  • Openness:3 ★★★
  • Document quality:1 ★☆☆

A graphical user interface (GUI) program for pre- and post-processing for the DFT package SIESTA. It allows visualizing band structures and density of states obtained by SIESTA and editing atom configurations. Structure data can also be output in input file formats compatible with other DFT packages such as VASP, CRYSTAL, and Quantum ESPRESSO.

Information
Last Update:2025/11/11

Official site

https://github.com/sozykinsa/GUI4dft

License

MIT license

Availability
  • Python 3 (Ubuntu, Windows, Mac)
  • Required libraries
    PyQt5, OpenGL, Scipy, Numpy, Scikit-image
Core Developers

S.A. Sozykin (South Ural State University)
Related App
Document

S.A. Sozykin, Comp. Phys. Commun. 262, 107843 (2021)
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