Published July 22, 2014
| Version v2.9.12
Software
Open
Defect transformations, optical properties and misc improvements.
Creators
- Shyue Ping Ong1
- gmatteo
- Will Richards
- Geoffroy Hautier
- cedergroupclusters
- Xiaohui Qu
- Stephen Dacek
- Bharat Medasani2
- Anubhav Jain3
- mpkocher
- Sai Jayaraman
- Wei Chen
- Dan Gunter4
- yanikou19
- Germain Salvato Vallverdu5
- wenhaosun
- rgmumufeng
- Miriam Brafman4
- leicheng
- Miao Liu6
- zhangyongND
- ajtoumar
- Zihan XU
- navnidhirajput
- 1. Materials Virtual Lab
- 2. Lawrence Berkeley National Lab
- 3. Lawrence Berkeley Lab
- 4. LBNL
- 5. Université de Pau et des Pays de l'Adour, IPREM, Équipe de Chimie Physique
- 6. LBL
Description
- Defect transformations (Bharat).
- Support for optical properties (Geoffroy Hautier and David Waroquiers).
- Improved support for some VASP output files (XDATCAR and OSZICAR).
- Refactored compatibilities now uses YAML for ease of reading.
Files
pymatgen-v2.9.12.zip
Files
(43.1 MB)
| Name | Size | Download all |
|---|---|---|
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md5:ecd66a1e6e5bf9d4f772a5782280ab6d
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43.1 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen/tree/v2.9.12 (URL)