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AiiDA plugin package "aiida-phonopy"

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General information

Current state:

Short description: AiiDA plugin for running phonon calculations using phonopy

How to install: pip install aiida-phonopy

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): AiiDA-phonpy team

Contact: atz.togo@gmail.com

How to use from python: import aiida_phonopy

Most recent version: 0.6.0


Plugins provided by the package

Calculations 1 Parsers 1 Workflows 4

CalcJobs and calculation functions (aiida.calculations)

  • phonopy.phonopy
    class aiida_phonopy.calcs.phonopy:PhonopyCalculation

CalcJob parsers (aiida.parsers)

  • phonopy
    class aiida_phonopy.parsers.phonopy:PhonopyParser

WorkChains and work functions (aiida.workflows)

  • phonopy.iter_ha
    class aiida_phonopy.workflows.iter_ha:IterHarmonicApprox
  • phonopy.phono3py
    class aiida_phonopy.workflows.phono3py.phono3py:Phono3pyWorkChain
  • phonopy.phonopy
    class aiida_phonopy.workflows.phonopy.phonopy:PhonopyWorkChain
  • phonopy.phonopy.base
    class aiida_phonopy.workflows.phonopy.base:BasePhonopyWorkChain