Bug#602096: ITP: bigdft -- Wavelet-based electronic-structure calculations
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon <yann.pouillon@gmail.com>
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
* Package name : bigdft
Version : 1.4
Upstream Author : Damien Caliste <damien.caliste@cea.fr>
* URL : http://inac.cea.fr/L_Sim/BigDFT/
* License : GPL
Programming Lang: C, Fortran 90
Description : Wavelet-based electronic-structure calculations
BigDFT is a DFT-based massively parallel electronic structure code using
a wavelet basis set. Wavelets constitute a real space basis set
distributed on an adaptive mesh (two levels of resolution in our
implementation).
..
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. GTH or HGH pseudopotentials are used to
remove the core electrons.
..
The Poisson solver is also integrated in ABINIT, OCTOPUS and CP2K.
This package will be part of the Debian Science nanoscale-physics
metapackage.
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.10 (GNU/Linux)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=Jmma
-----END PGP SIGNATURE-----
Reply to: