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

Author(s): AiiDA-phonpy team

Contact: atz.togo@gmail.com

How to use from python: import aiida_phonopy

Most recent version: 0.6.0

Compatibility:

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