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.
Warning
This plugin is still in its early testing phase !!!
Introduction¶
Covers a brief overview of the main functionality provided by the plugin.
Installation¶
A quick guide to get you running.
Users¶
An example based introduction to the code usage. Covers the plugin logic and the basics needed to run the VASP code.
Default Behaviour¶
An overview of the features that may confuse you.
Advanced Users¶
Extends the topic of Parser Instructions and gives an example of a new parser instruction implementation.
Note
Knowledge of Python programing is assumed.
Developers¶
An in-depth cover of the plugin implementation.
Note
Advanced Python programing skills and familiarity with the AiiDA internals are assumed.
TODO !