# Implementation strategies in phonopy and phono3py

https://mdr.nims.go.jp/datasets/16075f01-2841-4e60-a32b-abf75327c853

## File

- [Togo_2023_J._Phys.__Condens._Matter_35_353001.pdf](https://mdr.nims.go.jp/filesets/dfacbe10-eac6-4dd1-8fc6-a8133965f483/download) ([Detail](https://mdr.nims.go.jp/filesets/dfacbe10-eac6-4dd1-8fc6-a8133965f483.md))

## Id

16075f01-2841-4e60-a32b-abf75327c853

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-08-07T03:19:19.010186Z

## Updated at

2024-01-05T13:11:26.402006Z

## Published at

2023-08-08T04:30:17.053515Z

## Doi



## First published url

https://doi.org/10.1088/1361-648X/acd831

## Date published

2023-09-04

## Recorded date published

2023-9-4

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Implementation strategies in phonopy and phono3py
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: eng

## Creator

- name: Atsushi Togo
  role: author
  orcid: https://orcid.org/0000-0001-8393-9766
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Laurent Chaput
  role: author
- name: Terumasa Tadano
  role: author
  orcid: https://orcid.org/0000-0002-8132-2161
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Isao Tanaka
  role: author

## Contact agent



## Publisher

organization: IOP Publishing

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## Keyword

- subject: Phonon calculation
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

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## Journal

- title: JOURNAL OF PHYSICS-CONDENSED MATTER
  issn: '09538984'
  volume: '35'
  issue: '35'
  start_page: 353001
  end_page: 353001

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## Fileset

- id: dfacbe10-eac6-4dd1-8fc6-a8133965f483
  filename: Togo_2023_J._Phys.__Condens._Matter_35_353001.pdf
  content_type: application/pdf
  size: 1082733
  md5: 53bd27c94558f0dcbb3bf8c7d2f9c887

## Thumbnail

fileset_id: dfacbe10-eac6-4dd1-8fc6-a8133965f483
filename: Togo_2023_J._Phys.__Condens._Matter_35_353001.pdf