Skip to main content
Ctrl+K

AiiDA Quantum ESPRESSO

  • AiiDA
  • GitHub
  • Twitter
Ctrl+K
  • Get started
  • Tutorials
    • Running a pw.x calculation
    • Magnetic configurations
    • DFT with Hubbard corrections

How to

  • Calculations
    • cp.x
    • dos.x
    • epw.x
    • matdyn.x
    • neb.x
    • ph.x
    • pp.x
    • projwfc.x
    • pw.x
    • pw2wannier90.x
    • q2r.x
    • xspectra.x
  • Workflows
    • MatdynBaseWorkChain
    • PhBaseWorkChain
    • PwBaseWorkChain
    • PwRelaxWorkChain
    • PwBandsWorkChain
    • Q2rBaseWorkChain
    • PdosWorkChain

Topic guides

  • Calculations
    • cp.x
    • dos.x
    • epw.x
    • matdyn.x
    • neb.x
    • ph.x
    • pp.x
    • projwfc.x
    • pw.x
    • pw2wannier90.x
    • q2r.x
    • xspectra.x
  • Workflows
    • MatdynBaseWorkChain
    • PhBaseWorkChain
    • PwBaseWorkChain
    • PwRelaxWorkChain
    • PwBandsWorkChain
    • Q2rBaseWorkChain
    • PdosWorkChain

Reference

  • Python API
    • aiida_quantumespresso.calculations
    • aiida_quantumespresso.common
    • aiida_quantumespresso.data
    • aiida_quantumespresso.parsers
    • aiida_quantumespresso.tools
    • aiida_quantumespresso.utils
    • aiida_quantumespresso.workflows
  • CLI
  • .rst

aiida_quantumespresso.utils

Contents

  • Subpackages
  • Submodules

aiida_quantumespresso.utils#

Subpackages#

  • aiida_quantumespresso.utils.defaults
    • aiida_quantumespresso.utils.defaults.calculation
  • aiida_quantumespresso.utils.protocols
    • aiida_quantumespresso.utils.protocols.pw
  • aiida_quantumespresso.utils.validation
    • aiida_quantumespresso.utils.validation.trajectory

Submodules#

  • aiida_quantumespresso.utils.bands
  • aiida_quantumespresso.utils.convert
  • aiida_quantumespresso.utils.hubbard
  • aiida_quantumespresso.utils.linalg
  • aiida_quantumespresso.utils.mapping
  • aiida_quantumespresso.utils.resources
  • aiida_quantumespresso.utils.restart

previous

aiida_quantumespresso.tools.pwinputparser

next

aiida_quantumespresso.utils.defaults

Contents
  • Subpackages
  • Submodules

© Copyright 2014-2025, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland. All rights reserved.