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ESPRESSO/PWscf

Introduction

Quantum ESPRESSO  is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft).

PWscf (Plane-Wave Self-Consistent Field) is a computer code for electronic-structure calculations within Density-Functional Theory and Density-Functional Perturbation Theory, using pseudopotentials and a plane-wave basis set. PWscf is part of the Quantum ESPRESSO  distribution of codes for the quantum simulation of matter at the atomic scale.

More information can be found at http://www.quantum-espresso.org/ and http://www.pwscf.org/.

Version

No version information is currently available.

Availability

ESPRESSO/PWscf is available on the Glenn Cluster.

Usage

No usage information is currently available.

Documentation

No documentation is currently available.