Tobias Burnus found out why-does-gfortran-not-work and reported the bugs to the gcc team who actually fixed it for gcc 4.5. The exciting code has been used for calculations presented at the conference…

Excercises Silver Band structure DOS Volume optimization Loss spectra LiF Optical spectra whithin TDDFT and BSE Usefull links: examples_and_templates.tgz input reference

?xml version="1.0" encoding="UTF-8" ? xsl:stylesheet version="1.0" xmlns:xsl="http://www.w3.org/1999/XSL/Transform" xsl:template name="table" xsl:param name="data"/ xsl:element name="table" …

You can describe a setup for a experiment description like: ?xml version="1.0" encoding="UTF-8"? setup param name="gmaxvr" val 7 /val val 8 dep name="rgkmax" val="10"/ /val val 9 dep…

The program sgroup is a utility to determine the space group of a structure. It can be obtained from http://cpc.cs.qub.ac.uk/summaries/adon

Home Getting Started Features The LAPW Method Documentation Input Reference Template Market Contact Discussion Forum Development People Roadmap Getting Involved Bug Reports Releases Download …

Input Template A frequent task in scientific computer simulation is to do many similar calculations, where one needs to vary only one or a few parameters. We refer to this method as the aggregate…

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The spacegroup program is a tool which is included in the exciting distribution. Starting from the spacegroup number and the Wyckoff positions of the inequivalent atoms, all atomic positions and the…

with the 2009 release we converted most file formats to xml: why xml

There are many different FORTRAN compilers out there and they are sometimes not as compatible as we might like. compiler operating system status ifort linux tested problems on 11.x gfortran…