Current state:

Short description: The official AiiDA plugin for Phonopy

How to install: pip install aiida-phonopy

Source code: Go to the source code repository

Author(s):

Contact: Lorenzo Bastonero <bastonero.lorenzo@gmail.com>

How to use from python: import aiida_phonopy

Most recent version: 1.1.3

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 1 Data 4 Workflows 1

CalcJobs and calculation functions (aiida.calculations)

• phonopy.phonopy
  class aiida_phonopy.calculations.phonopy:PhonopyCalculation

Data node types (aiida.data)

• phonopy.force_constants
  class aiida_phonopy.data.force_constants:ForceConstantsData
• phonopy.phonopy
  class aiida_phonopy.data.phonopy:PhonopyData
• phonopy.preprocess
  class aiida_phonopy.data.preprocess:PreProcessData
• phonopy.raw
  class aiida_phonopy.data.raw:RawData

CalcJob parsers (aiida.parsers)

• phonopy.phonopy
  class aiida_phonopy.parsers.phonopy:PhonopyParser

WorkChains and work functions (aiida.workflows)

• phonopy.phonopy
  class aiida_phonopy.workflows.phonopy:PhonopyWorkChain