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IAS Seminar: Numerical analysis of augmented plane waves methods

begin
26 Apr 2012 15:15
end
26 Apr 2012 16:15
venue
Jülich Supercomputing Centre, Hörsaal, building 16.3, room 006
Speaker
Prof. Dr. Reinhold Schneider, Institut für Mathematik, TU Berlin
Contents
We analyze the augmented plane wave methods which are widely used in full-potential electronic structure calculations. We introduce a nonconforming method and the augmented methods are viewed as a special case. A priori error estimate is given and numerical experiments are presented to support our theory. Parts of the results are extended to Numerical Atomic Orbital basis functions.
Time
Thursday, 26 April 2012, 15:15
Venue
Jülich Supercomputing Centre, Hörsaal, building 16.3, room 006
Announcement as pdf:
 Numerical analysis of augmented plane waves methods (PDF, 29 kB)

Anyone interested is cordially invited to participate.


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