wfbase

Easy way to compute from first-principles various properties depending on the electronic structure of periodic solids.

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Project description

WfBase is a software package providing an easy way to compute from first-principles various properties depending on the electronic structure of periodic solids. This package can parse user-provided mathematical expressions, in a human-readable format, using the Einstein notation for indices. This package also comes with a built-in database of some simple materials. For more details, please see:

https://coh.ucr.edu/wfbase

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0.0.2

Apr 30, 2024

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