Published June 23, 2022
| Version 0.2.3
Software
Open
Scripts to reproduce "Automated Bonding Analysis with Crystal Orbital Hamilton Populations"
Authors/Creators
- 1. Federal Institute for Materials Research and Testing
- 2. Bundesanstalt für Materialforschung und -prüfung
- 3. STFC
- 4. University of Utah @sparks-baird
Description
This repo allows to recreate our publication: https://doi.org/10.1002/cplu.202200123 In contrast to 0.2.2, we fixed an issue with absolute path.
Files
JaGeo/LobsterAutomation-0.2.3.zip
Files
(485.0 kB)
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|---|---|---|
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md5:4dcec81bcd5acc2de7cfcd54b914e3a9
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Additional details
Related works
- Is supplement to
- https://github.com/JaGeo/LobsterAutomation/tree/0.2.3 (URL)