[xcrysden] General Grid

[Arcesio Castañeda]

Hello

I am trying to create a xsf file with 3D periodic data. As xcrysden uses 
general grids this must be done by defining properly the redundant 
points, otherwise the atomic positions and the isosurfaces seems to be 
not properly localized in regard to each other. I could manage to do 
correctly for one unit cell, but for more than one unit cell it seems 
more complicated. I know xcrysden can extend the periodic data, given 
these in a unit cell, but I would like to know how to achieve the same 
result, when the data for more than one unit cell is directly read from 
the xsf file.

Thanks before hand for any help,

A. Castaneda M.
MPI Halle (Saale)