Main Page

Welcome to the documentation of PEXSI

• Introduction
  • Overview
  • License
• Installation
  • Obtaining the source code
  • Dependencies
  • Build PEXSI
• Tutorial
  • Parallel selected inversion for a complex matrix
  • Solving Kohn-Sham density functional theory
• Core Functionality
  • Basic
  • Data type
  • Pole expansion
  • Factorization
  • Selected Inversion
  • FORTRAN interface
• Frequently asked questions
• Troubleshooting