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AiiDA Quantum ESPRESSO

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  • 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
  • .md

Calculations

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

previous

PdosWorkChain

next

cp.x

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