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Document: quantum-espresso
Title: User's Guide for QUANTUM ESPRESSO
Author: DEMOCRITOS National Simulation Center of IOM-CNR
Abstract: This guide gives a general overview of the contents and
of the installation of QUANTUM ESPRESSO (opEn-Source Package for
Research in Electronic Structure, Simulation, and Optimization).
.
The QUANTUM ESPRESSO distribution contains the core packages PWscf
(Plane-Wave Self-Consistent Field) and CP (Car-Parrinello) for the
calculation of electronic-structure properties within
Density-Functional Theory (DFT), using a Plane-Wave (PW) basis set
and pseudopotentials. It also includes other packages for more
specialized calculations.
Section: Science/Chemistry
Format: HTML
Index: /usr/share/doc/quantum-espresso/html/index.html
Files: /usr/share/doc/quantum-espresso/html/*.html
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