[xcrysden] Error when rendering the fermi surface

Martin Kroeker martin at ruby.chemie.uni-freiburg.de
Fri Sep 18 12:31:57 CEST 2015


> I am using the semishared distribution of Xcrysden. Are there any ways to
> increase the band number parameter in this distribution? The cluster that I
As it is a fixed size limit in the wn_readbakgen executable, you will
have to recompile that - but you could do this on some generic linux box
(or ask someone to do it for you) and just copy the new wn_readbakgen
onto your cluster 

-- 
Dr. Martin Kroeker            martin at ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg



More information about the XCrySDen mailing list