A fast and precise DFT wavelet code

BigDFT website

A fast and precise DFT wavelet code
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overview

BigDFT is a DFT massively parallel electronic structure code (GPL license) using a wavelet basis set. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation). GTH or HGH pseudopotentials are used to remove the core electrons. Thanks to our Poisson solver based on a Green function formalism, periodic systems, surfaces and isolated systems can be simulated with the proper boundary conditions.

Content

Getting started

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Software resources

BigDFT reference papers

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See also: articles describing BigDFT, articles using BigDFT

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