Implementation strategies in phonopy and phono3py
National Institute for Materials Science · Kyoto University · +5 more institutions
Abstract
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 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.
Citation impact
- FWCI
- 105.84
- Percentile
- 100%
- References
- 40
Authors
4- ATAtsushi TogoCorresponding
National Institute for Materials Science, Kyoto University, Division of Materials Science and Engineering
- LCLaurent Chaput
Centre National de la Recherche Scientifique, Laboratoire Énergies et Mécanique Théorique et Appliquée, Université de Lorraine
- TTTerumasa Tadano
National Institute for Materials Science
- ITIsao Tanaka
Kyoto University, Japan Fine Ceramics Center
Topics & keywords
- Computer science
- Software
- The Internet
- Code (set theory)
- Join (topology)
- Source code
- Property (philosophy)
- Internet portal