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AiiDA Quantum ESPRESSO

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Tutorials
- Running a pw.x calculation
- Magnetic configurations

How to

Calculations
- cp.x
- dos.x
- epw.x
- matdyn.x
- neb.x
- ph.x
- pp.x
- projwfc.x
- pw.x
- pw2wannier90.x
- q2r.x
- xspectra.x
Workflows

Topic guides

Calculations
- cp.x
- dos.x
- epw.x
- matdyn.x
- neb.x
- ph.x
- pp.x
- projwfc.x
- pw.x
- pw2wannier90.x
- q2r.x
- xspectra.x
Workflows

Reference

Python API
CLI

.md

PdosWorkChain

`PdosWorkChain`#

To be added.

previous

Q2rBaseWorkChain

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Calculations

© Copyright 2014-2024, ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (NCCR MARVEL)), Switzerland. All rights reserved.