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Quantum ESPRESSO

A curated list of delightful Quantum ESPRESSO resources and tools

Users Guide

General

  1. General Users Guide PDF or HTML

Packages

  1. PWscf (PW) - Plane-Wave Self-Consistent Field
  2. CP (CPV) - Car-Parrinello Molecular Dynamics
  3. PostProc (PP) - post-processing and analysis Tools
  4. PHonon - Phonons with Density-Functional Perturbation Theory
  5. PWneb (NEB) - Nudged Elastic Band