[SIESTA-L] Denchar and non-cubic cells

Fri, 22 Oct 2010 03:02:58 -0700 

Hi,

I couldn't figure out how to generate the cube files within the boundaries 
defined by my lattice vectors:

%block LatticeVectors
        20.804198   -0.109425   -0.024170
        -0.109478   20.785394   -0.082819
        -0.024133   -0.083005   20.788121
%endblock LatticeVectors

The system is a bulk, and therefore I have to take into account the periodic 
boundary conditions; using Denchar.MniX,Y,Z and Denchar.MaxX,Y,Z I can only 
define cubic boundaries. Is there a way to do that? Is this planned for a 
future feature?


RG

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