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PGI-1 Seminar: Dr. Klaus Koepernik 


Electronic structure calculations of solids and molecules using the Full Potential Local Orbital (FPLO) code

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19.Dec.2012 11:30
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PGI-Hörsaal

Institute for Theoretical Solid State Physics Leibniz Institute for Solid State and Materials Research Dresden

Abstract

The succes of density functional theory (DFT) has given rise to a multitude of methods to solve the corresponding equations. Although in principle performing a similar task, they differ with respect to their range of application and their performance and features.  Here, the full potential local orbital (FPLO) code is presented. The basic concepts of the method are outlined and selected features and applications are discussed.

Contact

Prof. Dr. Stefan Blügel
Phone: +49 2461 61-4249
Fax: +49 2461 61-2850
email: s.bluegel@fz-juelich.de

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