Welcome to AiiDA VASP Plugin’s Documentation

AiiDA VASP Plugin is an AiiDA extension, writen in Python, which provides a user friendly and flexible way to run highly automated density functional theory (DFT) calculations using the Viena Ab initio Simulation Package, VASP . The code consists of two main parts, the Input and the Output plugin, which facilitate VASP calculation setup and output postprocessing within the AiiDA framework.


This plugin is still in its early testing phase !!!


Covers a brief overview of the main functionality provided by the plugin.


An example based introduction to the code usage. Covers the plugin logic and the basics needed to run the VASP code.

Advanced Users

Extends the topic of Parser Instructions and gives an example of a new parser instruction implementation.


Knowledge of Python programing is assumed.


An in-depth cover of the plugin implementation.


Advanced Python programing skills and familiarity with the AiiDA internals are assumed.


Indices and tables