Lattice dynamics calculations based on density-functional perturbation theory in real space

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Lattice dynamics calculations based on density-functional perturbation theory in real space

Year of publication

2017

Authors

Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias

Organizations and authors

Aalto University

Rinke Patrick Orcid -palvelun logo

Publication type

Publication format

Article

Parent publication type

Journal

Article type

Original article

Audience

Scientific

Peer-reviewed

Peer-Reviewed

MINEDU's publication type classification code

A1 Journal article (refereed), original research

Publication channel information

Journal

Computer Physics Communications

Publisher

Elsevier

Volume

215

Pages

26–46

ISSN

0010-4655

​Publication forum

53939

​Publication forum level

1

Open access

Open access in the publisher’s service

Yes

Open access of publication channel

Partially open publication channel

Self-archived

Yes

Other information

Fields of science

Physical sciences

Keywords

atom-centered basis functions; Density-function theory; density-functional perturbation theory; lattice dynamics

Internationality of the publisher

International

Language

English

International co-publication

Yes

Co-publication with a company

No

DOI

10.1016/j.cpc.2017.02.001

The publication is included in the Ministry of Education and Culture’s Publication data collection

Yes
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