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

[07 May 2021]    PWTK-2.0 released.
[12 Nov 2019]    PWTK-1.0.2 released.

Get started

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

Documentation

To start learning PWTK, follow this link. Full documentation is available here (HTML).