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