Journal of Physics Condensed Matter

, том 35 , издание 35 , страницы 353001

Implementation strategies in phonopy and phono3py

Тип публикации: Journal Article

Дата публикации: 2023-06-02

Связанные публикации

IOP Publishing

Journal of Physics Condensed Matter

scimago Q2

wos Q3

white level БС2

SJR: 0.624

CiteScore: 4.6

Impact factor: 2.6

ISSN: 09538984, 1361648X

DOI: 10.1088/1361-648x/acd831

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PubMed ID: 37220761

Condensed Matter Physics

General Materials Science

Краткое описание

Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet.The phonopy and phono3py codes are widely used open source phonon calculation codes. This review describes a collection of computational methods and techniques as implemented in these codes and shows their implementation strategies as a whole, aiming to be useful for the community. Some of the techniques presented here are not limited to phonon calculations and may therefore be useful in other areas of condensed matter physics.

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Togo A. et al. Implementation strategies in phonopy and phono3py // Journal of Physics Condensed Matter. 2023. Vol. 35. No. 35. p. 353001.

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Togo A., Chaput L., Tadano T., Tanaka I. Implementation strategies in phonopy and phono3py // Journal of Physics Condensed Matter. 2023. Vol. 35. No. 35. p. 353001.

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TY - JOUR

DO - 10.1088/1361-648x/acd831

UR - https://doi.org/10.1088/1361-648x/acd831

TI - Implementation strategies in phonopy and phono3py

T2 - Journal of Physics Condensed Matter

AU - Togo, A.

AU - Chaput, Laurent

AU - Tadano, Terumasa

AU - Tanaka, I.

PY - 2023

DA - 2023/06/02

PB - IOP Publishing

SP - 353001

IS - 35

VL - 35

PMID - 37220761

SN - 0953-8984

SN - 1361-648X

ER -

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@article{2023_Togo,

author = {A. Togo and Laurent Chaput and Terumasa Tadano and I. Tanaka},

title = {Implementation strategies in phonopy and phono3py},

journal = {Journal of Physics Condensed Matter},

year = {2023},

volume = {35},

publisher = {IOP Publishing},

month = {jun},

url = {https://doi.org/10.1088/1361-648x/acd831},

number = {35},

pages = {353001},

doi = {10.1088/1361-648x/acd831}

}

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Togo, A., et al. “Implementation strategies in phonopy and phono3py.” Journal of Physics Condensed Matter, vol. 35, no. 35, Jun. 2023, p. 353001. https://doi.org/10.1088/1361-648x/acd831.