[xcrysden] Queries about orbital plotting in xcrysden

[shadab]

Hi,

I did a Wannier90 calculation from Wien2k DFT calculations for Bi2Se3. I 
was trying to plot the px, py, pz orbitals for Bi and Se atoms in the 
unit cell using the xsf files generated from the Wannier90 calculations. 
Xcrysden is plotting my orbitals outside the unit cell for some of the 
atoms (see the attached figure showing px orbital of Bi atom plotted 
outside the primitive unit cell). How can I plot it inside the unit cell 
lying on one of the Bi atom?

Thanks

Regards,

-- 
Shadab Ahamed
PHAS Graduate Student
Stewart Blusson Quantum Matter Institute
University of British Columbia | Vancouver
280-2355 East Mall | Vancouver BC | V6T 1Z4 Canada

e: shadab at phas.ubc.ca
v: +1-778-325-9814
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