[xcrysden] Reg: Fermi surface plot

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Oct 12 08:50:54 CEST 2012


I did not check it myself, but probably in wn_readbakgen.f there are 
some fixed dimensions of some arrays limiting the size of the k-mesh. 
Check the source code and eventually recompile with larger dimensions.

Am 11.10.2012 18:25, schrieb vijaykumar gudelli:
> Dear users,
>         I am using the Xcrysden to plot the Fermi surface.
> But I am getting some error.
> I can able to plot the Fermi surface for 44*44*44 k-mesh.
> But I just want to do the same for higher mesh. When I'm using 58*58*58
> k-mesh I am getting error like
>
> *error while executing exec...... wn_readbakgen bakgen.def
>
> * Can anyone help to resolve this problem.
> Thanks in advance.
>
>
> -- _Regards_
>
>
> VIJAY KUMAR GUDELLI
> <mailto:vkgudelli at gmail.com>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671


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