Install Source Requirements Fortran90 compiler — we tested the compilers listed on: Supported Platforms perl: Get Perl xmlib2, xsltlib: Get xsltproc gnu make Optional Requirements Optimized…
If you are allowed to edit pages in this Site, simply click on edit button at the bottom of the page. This will open an editor. To create a link to a new page, use syntax: new page name or…
Getting eclipse Get eclipse Helios from http://www.eclipse.org/downloads/. The XML editor and the FORTRAN editor and various other features can be installed over the marketplace. You will find the…
The spacegroup program takes a crystal definition as input and generates all the atom positions for the unit cell or if wanted supercell. In the spacegroup input one defines the space group by…
foldunfold Table of Contents Root …
This input reference lists the elements and attributes available to define an input for an exciting calculation. The input file is named input.xml it must be a valid XML file and it must contain the…
This web page lists all elements and attributes that can be used in the input file of an exciting calculation: elements are defined according to the general XML conventions. Example: The element…
This web page lists all elements and attributes that can be used in the input file of an exciting calculation: elements are defined according to the general XML conventions PutLinkHere. Example: The…
The input file can be opened in the web browser when the right xslt template is associated with it. The browser shows a jmol view of your structure and all the used input elements with links to their…
on a recent ubuntu sudo apt-get install python-libxml2 python-matplotlib python-numpy ipython python-scipy python-tk should do the job.
The end of 2009 was dominated by the KITP Workshop in Santa Barbara Excitations in Condensed Matter: From Basic Concepts to Real Materials. It gave occasion for many interesting discussions and…
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The exciting code is distributed under the terms of the GNU General Public License. exciting is free software; you can redistribute it and/or modify it under the terms of the GNU General Public…
Excited states for Lithium Fluoride We will calculate the dielectric function of LiF by two different approaches, i.e. via the BSE formalism and then TDDFT utilizing the BSE-derived kernel. The first…
For an 8x8x8 k-mesh the BSE spectrum of LiF is reasonably converged:
When the data once is there in XML, templates can be used for other steps too. The next template generates a job script from the sets definition. It creates a job script for the Tivoli LoadLeveler…
Monthly reports sum up the recent activities on a page. We try to announce the new report every 20th. 20 Oktober 09 Report November 09 Report Jannuary 2010 Report
What MPI to use OpenMPI POE INTELS MPI
