Thermo_pw is a Fortran driver for the parallel and/or automatic computation of materials properties that uses Quantum ESPRESSO (QE) routines as the underlying engine. For the most common tasks, it provides an alternative organization of the QE work-flow exploiting, when possible, an asynchronous image parallelization. Moreover, the code has a set of pre-processing tools to reduce the input information given by the user and a set of post-processing tools to produce plots directly comparable with experiment.

Version: 1.8.1

Availability: LEONARDO

Target: all

Official web site: ThermoPW web page

Help and Documentation:

The current production version 1.8.1 was built with quantum-espresso 7.2