[xcrysden] Extraction of radial function from .xsf file
shadab
shadab at phas.ubc.ca
Thu Jul 30 09:18:01 CEST 2020
Hi all,
I have produced .xsf file (containing basis states) from a Wannier90 run
for Bi2Se3 which can be opened in xcrysden and the isosurface of the
basis. My basis contains Bi and Se px, py and pz orbitals for all the Bi
and Se atoms in the crystal unit cell. I wanted to extract the radial
functions corresponding to each orbital from these .xsf files. I read
the .xsf file documentation, but I am still not use sure how to go about
doing this. Please let me know.
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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