This is the first report about the exciting project, It has been an exciting time. Hydrogen After we had announced on 9.9.2009 to release Hydrogen we had a busy time preparing everything for the 20th…
This Wiki is provided by exciting developers and users
input.xml The exciting code uses one input file That is written in XML. To access the data in the input file exciting used the FoX library. The Fox Library can parse the contents of the xml into a…
The loss function of Ag The loss function, related to a finite momentum transfer process is determined. The q-vector is defined in the qpointset element in the input file. ?xml version="1.0"…
ASE: https://wiki.fysik.dtu.dk/ase/ The support includes reading and writing structures in the exciting XML formats the exciting calculator object. The exciting interface is included in the current…
Atomic units used in the exciting code ℏ = me = e = 1 Energies are given in Hartree: 1 Ha = 2 Ry = 27.21138386(68) eV = 4.35926 10-18 J Lengths are given in Bohr: 1 aBohr = 0.52917720859(36)…
For proposals and feature requests please send a mail to the mailing list. Good quality bug reports are most welcome feedback. We will create a ticket on the issue tracking tool.
During an exciting calculation the file info.xml is updated with intermediate results and status information. This file has a style sheet associated to it (info.xsl) which allows showing a rich…
Groundstate properties Many properties are derived from the ground state density or the Kohn-Sham-orbitals. Examples: Band structure Total energy Charge density Fermi energy Density of states Fermi…
Mailing list The best way to contact the exciting community is through our mailing list. You may subscribe by sending an email to excitingdft+moc.spuorgelgoog|ebircsbus#moc.spuorgelgoog|ebircsbus or via the website…
Stress tensor (Pasquale Pavone, Materials Center Leoben University of Leoben) Elastic properties (Pasquale Pavone, Materials Center Leoben University of Leoben) Phonon dispersion (Stephan…
How things work and where to plug in. Input File Parser
How to use the exciting parser to access exciting input files
!! obsolete should be consolitatet into Getting Involved Participation We strongly encourage participation of researchers in the code development. We want to provide a clear path for collaboration and…
We target at a test-driven, distributed development. Researchers clone the git repository and start working on their feature. If an implementation includes a test for the feature, doesn't break the…
Tutorials Getting started gives an idea how things work. The first tutorial depicts the typical work flow of a calculation in a step by step manner. A simple volume optimization is explained for the…
Hydrogen How to cite A reference publication is in progress. Meanwhile, please refer to http://exciting-code.org. License Here are informations about the license. Source Get the source distribution…
HoW exciting! Hands-on Workshop on Excitations in Solids Employing the exciting code. CECAM - Head Quarter, Lausanne, Nov. 11-17, 2010 More information on the CECAM web-page Go to online application…
exciting or EXC!TiNG as it is sometimes written is the DFT Package this site is all about.
This template converts exciting input into the file format of the sgroup symmetry detection tool. use: xsltproc exciting2sgroup.xsl input.xsl output.dat or directly from the internet location …
