Scripts

This page documents the usage of the AbiPy scripts, the subcommands available and the options supported by each subcommand.

To analyze the cystalline structure stored in FILE, use abistruct.py. To operate on a single FILE, use abiopen.py. To compare multiple FILES of the same type, use the abicomp.py script. If the analysis requires the execution of additional logic (e.g. the computation of phonons with anaddb from the DDB file), use abiview.py. To generate a minimalist input file for Abinit, use abinp.py. For a command line interface to the Abinit documentation, use abidoc.py.

Finally, use abicheck.py to validate your AbiPy + Abinit installation before running AbiPy flows and use abirun.py to launch Abinit calculations.

Important

Each script provides a --help option that documents all the commands available and provides a list of typical examples. To list of the options supported by COMMAND use e.g. abicomp.py COMMAND –help.