Template to create struct file from exciting input.xml. The wien struct files includes information that on the exciting side is rather held in the species files than in the input file such as Muffin…
exciting is a computer programm written in FORTRAN. The code can be compiled into different binaries because they use different compile options or libraries therefor we have: excitingser serial…
clone getsubmodule libbzint compile test submit patch
Sometimes one may want the result as a function of one or more values. In order to get a grid of all permutations you my use this expandset.xsl template. This template takes a source file of the form:…
General High precision all-electron DFT code based on the FP-LAPW method including local-orbitals Various xc functionals available Calculation of forces and structural optimization Treatment of…
Gdis is a molecule/crystal editor. It can export a simple xyz XML format of which this is the conversion template to exciting input. ?xml version="1.0" encoding="UTF-8" ? xsl:stylesheet…
The species program determines the initial linearization energies, the core-valence separation and the semi-core states from the tabulated data corresponding to the chemical elements. To this end, an…
Most probably you will have perl installed. It is most ubiquitous, at least all the supported platforms
We strongly encourage participation in the code development. We want to provide a clear path for collaboration and a transparent process for including patches. A good starting point is the mailing…
Input exciting takes one input file to calculate the desired properties. It is called input.xml ?xml version="1.0" encoding="UTF-8"? input…
The program xsltproc comes with libxslt, which is part of the gnome project and is therefore available on most Linux installations and also on Mac OS X. Find it out by typing on the command line: …
Git is a distributed source-code management tool. To learn git, watch some introductory video on the git website. github Get the exciting repository from the current maintainer on the github:…
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Notation for spacegroups see: http://de.wikipedia.org/wiki/Hermann-Mauguin-Symbol or http://en.wikipedia.org/wiki/Hermann–Mauguin_notation
The current package is based on a code which was originally developed at the University of Graz within the EU Research and Training Network EXC!TiNG, copyright by Kay Dewhurst, Sangeeta Sharma, and…
Step by step examples that should be recreate able with no additional knowledge. The first has yet to come.
We have a journal publication in the works which should be the reference for the exciting code. It's not out yet. Meanwhile please refer to http://exciting-code.org Logo Graphics logotransp.png…
