A fast and precise DFT wavelet code

Difference between revisions of "BigDFT website"

A fast and precise DFT wavelet code
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* BigDFT is a [//www.gnu.org/licenses/gpl-2.0.html GPLv2] software, written by [[Authors|several people]].
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* BigDFT is a [//www.gnu.org/licenses/gpl-2.0.html GPLv2] software, written by [[Authors|several people]] (see [https://youtu.be/WdD-zlp56EY this video])
 
* The code is hosted on [//launchpad.net/bigdft Launchpad.net].
 
* The code is hosted on [//launchpad.net/bigdft Launchpad.net].
 
** [//bugs.launchpad.net/bigdft/+filebug Report bugs] or browse [//bugs.launchpad.net/bigdft opened issues].
 
** [//bugs.launchpad.net/bigdft/+filebug Report bugs] or browse [//bugs.launchpad.net/bigdft opened issues].

Revision as of 21:58, 3 June 2016

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

Manual.svg

Software resources

Download

(tar xJvf to extract)

BigDFT reference papers

Pen.svg

See also: articles describing BigDFT, articles using BigDFT

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