Grau-Crespo's Materials Theory Group
Dr Ricardo Grau-Crespo's Materials Theory group at the University of Reading, UK
- 6 followers
- Department of Chemistry, University of Reading
- https://sites.google.com/site/rgrauc/
- r.grau-crespo@reading.ac.uk
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SuperCharge
SuperCharge PublicPython code to create SuperCell including charge density CHGCAR and atom position POSCAR from a unit cell using Bader.
Python 1
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Showing 4 of 4 repositories
- gcmt-group.github.io Public
- SuperCharge Public
Python code to create SuperCell including charge density CHGCAR and atom position POSCAR from a unit cell using Bader.
- BaderMerge Public
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