Description: PWTK is a scripting interface for Quantum ESPRESSO (an integrated suite of open-source codes for electronic-structure calculations and materials modeling at the nanoscale), which aims to provide a flexible and productive framework.
The online PWTK-2024 tutorial intends to teach participants how to use the PWTK scripting environment to effectively automate their Quantum ESPRESSO calculations by employing built-in workflows or creating their own. The tutorial will cover topics ranging from basic to more advanced scripting.
Duration: 20 – 24 May 2024, 14.00 – 16.00 CEST
Workflow: The tutorial consists of one hands-on session per day from 14:00 to 16:00 CEST. Participants will be given access to an HPC supercomputer to learn how to use PWTK on HPC machines.
Prerequisite knowledge: Participants should have at least a basic understanding of how to use Quantum ESPRESSO.
Organizer: The tutorial is organized by the MaX CoE in collaboration with NCC Slovenia.
Acknowledgments:
MaX - Materials design at the Exascale has received funding from the European High Performance Computing Joint Undertaking and Participating Countries in Project (Czechia, France, Germany, Italy, Slovenia, and Spain) under grant agreement no. 101093374.
The Slovenian part of the MaX project is co-financed by the Republic of Slovenia, the Ministry of Higher Education, Science and Innovation.
