GULP: Capabilities and prospects

The current status and capabilities of the atomistic simulation code GULP are described. In particular, the differences between versions 1.3.2 and 3.0 are detailed, as well as a concise pointer to applications in computational crystallography.

Bibliographic Details
Main Author: Gale, Julian
Format: Journal Article
Published: R Oldenbourg Verlag 2005
Subjects:
Online Access:http://hdl.handle.net/20.500.11937/35300
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author Gale, Julian
author_facet Gale, Julian
author_sort Gale, Julian
building Curtin Institutional Repository
collection Online Access
description The current status and capabilities of the atomistic simulation code GULP are described. In particular, the differences between versions 1.3.2 and 3.0 are detailed, as well as a concise pointer to applications in computational crystallography.
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institution Curtin University Malaysia
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publishDate 2005
publisher R Oldenbourg Verlag
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spelling curtin-20.500.11937-353002017-09-13T15:22:16Z GULP: Capabilities and prospects Gale, Julian Lattice dynamics Electrostatics Computational crystallography Atomistic simulation Phonons GULP Computer program The current status and capabilities of the atomistic simulation code GULP are described. In particular, the differences between versions 1.3.2 and 3.0 are detailed, as well as a concise pointer to applications in computational crystallography. 2005 Journal Article http://hdl.handle.net/20.500.11937/35300 10.1524/zkri.220.5.552.65070 R Oldenbourg Verlag fulltext
spellingShingle Lattice dynamics
Electrostatics
Computational crystallography
Atomistic simulation
Phonons
GULP Computer program
Gale, Julian
GULP: Capabilities and prospects
title GULP: Capabilities and prospects
title_full GULP: Capabilities and prospects
title_fullStr GULP: Capabilities and prospects
title_full_unstemmed GULP: Capabilities and prospects
title_short GULP: Capabilities and prospects
title_sort gulp: capabilities and prospects
topic Lattice dynamics
Electrostatics
Computational crystallography
Atomistic simulation
Phonons
GULP Computer program
url http://hdl.handle.net/20.500.11937/35300