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[edit] Introduction

This guide covers the installation and usage of Quantum-ESPRESSO (opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization).

The Quantum-ESPRESSO distribution contains the following packages for the calculation of electronic-structure properties within Density-Functional Theory, using a Plane-Wave basis set and pseudopotentials:

and the following auxiliary packages:

The Quantum-ESPRESSO codes work on many different types of Unix machines, including parallel machines using Message Passing Interface (MPI). Running Quantum-ESPRESSO on Mac OS X and MS-Windows is also possible: see the Installation section of this guide.

Further documentation, beyond what is provided in this guide, can be found in:

This guide does not explain solid state physics and its computational methods. If you want to learn that, read a good textbook, or consult the Methodological Background section.


next up previous
Next: [edit] Codes Up: User's Guide for Quantum-ESPRESSO Previous: User's Guide for Quantum-ESPRESSO
Paolo Giannozzi 2008-07-01