CIF2Cell: Generating geometries for electronic structure programs

Torbjörn Björkman

doi:10.1016/j.cpc.2011.01.013

CIF2Cell: Generating geometries for electronic structure programs

Torbjörn Björkman

Research output: Contribution to journal › Article › Scientific › peer-review

85 Citations (Scopus)

Original language	English
Pages (from-to)	1183
Journal	Computer Physics Communications
Volume	182
Issue number	5
DOIs	https://doi.org/10.1016/j.cpc.2011.01.013
Publication status	Published - 2011
MoE publication type	A1 Journal article-refereed

Keywords

Crystallographic databases
Crystallography
Electron density of states and band structure of crystalline solids
Electronic structure calculations
Structure of solids and liquids

Access to Document

10.1016/j.cpc.2011.01.013

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Cite this

@article{b781eaec2152408096ef04c23a0b8f2f,

title = "CIF2Cell: Generating geometries for electronic structure programs",

keywords = "Crystallographic databases, Crystallography, Electron density of states and band structure of crystalline solids, Electronic structure calculations, Structure of solids and liquids, Crystallographic databases, Crystallography, Electron density of states and band structure of crystalline solids, Electronic structure calculations, Structure of solids and liquids, Crystallographic databases, Crystallography, Electron density of states and band structure of crystalline solids, Electronic structure calculations, Structure of solids and liquids",

author = "Torbj{\"o}rn Bj{\"o}rkman",

year = "2011",

doi = "10.1016/j.cpc.2011.01.013",

language = "English",

volume = "182",

pages = "1183",

journal = "Computer Physics Communications",

issn = "0010-4655",

publisher = "Elsevier Science B.V.",

number = "5",

}

TY - JOUR

T1 - CIF2Cell: Generating geometries for electronic structure programs

AU - Björkman, Torbjörn

PY - 2011

Y1 - 2011

KW - Crystallographic databases

KW - Crystallography

KW - Electron density of states and band structure of crystalline solids

KW - Electronic structure calculations

KW - Structure of solids and liquids

KW - Crystallographic databases

KW - Crystallography

KW - Electron density of states and band structure of crystalline solids

KW - Electronic structure calculations

KW - Structure of solids and liquids

KW - Crystallographic databases

KW - Crystallography

KW - Electron density of states and band structure of crystalline solids

KW - Electronic structure calculations

KW - Structure of solids and liquids

U2 - 10.1016/j.cpc.2011.01.013

DO - 10.1016/j.cpc.2011.01.013

M3 - Article

VL - 182

SP - 1183

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 5

ER -