pengWann: Descriptors of chemical bonding from Wannier functions

Rust Python Submitted 14 February 2025Published 28 April 2025
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Editor: @rkurchin (all papers)
Reviewers: @JosePizarro3 (all reviews), @LIVazquezS (all reviews)

Authors

Patrick J. Taylor (0009-0003-6511-6442), Benjamin J. Morgan (0000-0002-3056-8233)

Citation

Taylor et al., (2025). pengWann: Descriptors of chemical bonding from Wannier functions. Journal of Open Source Software, 10(108), 7890, https://doi.org/10.21105/joss.07890

@article{Taylor2025, doi = {10.21105/joss.07890}, url = {https://doi.org/10.21105/joss.07890}, year = {2025}, publisher = {The Open Journal}, volume = {10}, number = {108}, pages = {7890}, author = {Patrick J. Taylor and Benjamin J. Morgan}, title = {pengWann: Descriptors of chemical bonding from Wannier functions}, journal = {Journal of Open Source Software} }
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chemical bonding Wannier functions

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