AiiDA plugin package "aiida-phonopy"
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): Atsushi Togo
Contact: atz.togo@gmail.com
How to use from python: import aiida_phonopy
Most recent version: 0.3
Compatibility:
Plugins provided by the package
Calculations 1 Parsers 1 Workflows 3CalcJobs and calculation functions (aiida.calculations)
phonopy.phonopyclass aiida_phonopy.calcs.phonopy: PhonopyCalculation
CalcJob parsers (aiida.parsers)
phonopyclass aiida_phonopy.parsers.phonopy: PhonopyParser
WorkChains and work functions (aiida.workflows)
phonopy.phonopyclass aiida_phonopy.workflows.phonopy: PhonopyWorkChainphonopy.phono3pyclass aiida_phonopy.workflows.phono3py: Phono3pyWorkChainphonopy.iter_haclass aiida_phonopy.workflows.iter_ha: IterHarmonicApprox