A Python Script to Generate an Eigenvalue Spectrum from the EIG File (SIESTA)

By Kamalpreet Singh

University of Toronto

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Abstract

EIG Plot - Eigenvalue spectrum Generation

This script automatically plots the .EIG file generated by the SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) program to see the eigenvalue spectrum to visualize the spread of eigenvalues. A copy of the processed data is also saved as a CSV.

Software/module Prerequisites:

  1. Python version 3
  2. Python modules (Glob, Pandas, Matplotlib)

How to use:

  1. Place script and .EIG file in a directory
  2. Run Script
  3. Provide a title for the plot

Cite this work

Researchers should cite this work as follows:

  • Kamalpreet Singh (2020), "A Python Script to Generate an Eigenvalue Spectrum from the EIG File (SIESTA)," https://nanohub.org/resources/31918.

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Tags

  1. eigenvalue spectrum
  2. python
  3. python matplotlib
  4. SIESTA
  5. tool:siesta