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Old 11-01-2010, 02:43 PM
Yann Pouillon
 
Default Bug#602097: ITP: exciting -- All-electron full-potential electronic-structure code

Package: wnpp
Severity: wishlist
Owner: Yann Pouillon <yann.pouillon@gmail.com>

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* Package name : exciting
Version : 1.0
Upstream Author : Claudia Ambrosch-Draxl <claudia.ambrosch-draxl@mu-leoben.at>
* URL : http://exciting-code.org/
* License : GPL
Programming Lang: Fortran 90
Description : All-electron full-potential electronic-structure code

exciting is a full-potential all-electron Density-Functional-Theory
(DFT) package based on the Linearized Augmented Plane-Wave (LAPW)
method.
..
It can be applied to all kinds of materials, irrespective of the atomic
species involved, and also allows for the investigation of the
atomic-core region.
..
We particularly focus on excited state properties, within the framework
of time-dependent DFT (TDDFT) as well as within many-body perturbation
theory (MBPT).

This package will be part of the Debian Science nanoscale-physics
metapackage.


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