
DEGRUYTERBRILL . COM {
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Title:
First principles methods using CASTEP
Description:
The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which are unique to CASTEP will be described and near-future development plans outlined.
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Keywords {π}
methods, crystals, search, principles, castep, article, published, journal, materials, dynamics, properties, electronic, molecular, package, content, author, gruyter, brill, issue, firstprinciple, lattice, structure, solids, transitions, study, crystallography, initio, program, computational, visualization, access, policy, skip, main, authors, librarians, subjects, services, home, publicly, cite, stewart, clark, matthew, segall, chris, pickard, phil, hasnip, matt,
Topics {βοΈ}
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Schema {πΊοΈ}
Article:
author:
type:Person
name:Stewart J. Clark
type:Person
name:Matthew D. Segall
type:Person
name:Chris J. Pickard
type:Person
name:Phil J. Hasnip
type:Person
name:Matt I. J. Probert
type:Person
name:Keith Refson
type:Person
name:Mike C. Payne
editor:
audience:
datePublished:2005-05-01
headline:
keywords:
isAccessibleForFree:1
publisher:
type:Organization
name:De Gruyter (O)
context:https://schema.org
name:First principles methods using CASTEP
image:https://www.degruyterbrill.com/document/cover/journal_key/ZKRI/thumbnail
url:https://doi.org/10.1524/zkri.220.5.567.65075
Person:
name:Stewart J. Clark
name:Matthew D. Segall
name:Chris J. Pickard
name:Phil J. Hasnip
name:Matt I. J. Probert
name:Keith Refson
name:Mike C. Payne
Organization:
name:De Gruyter (O)
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