PWTK is a Tcl scripting interface for Quantum ESPRESSO. It aims at providing a flexible and productive framework.

PWTK allows to easily automate large number of calculations and to glue together different computational tasks, where output data of preceding calculations serve as input for subsequent calculations.

News

[20–24 May 2024] An Online PWTK Tutorial

[15 May 2024]    PWTK-3.1 released.
[24 Apr 2024]    PWTK-3.0 released.
[07 May 2021]    PWTK-2.0 released.

Get started

To get the first idea of what PWTK is, see this presentation: (PDF, 1.8M).

To start learning PWTK, follow this link. For full documentation, see Sections or Table of Contents.