[xcrysden] Saving as XSF structure

Izaak Williamson izaakw89 at yahoo.com
Thu Jul 21 22:49:56 CEST 2011


Hello,


I know that when I save my structure as an XSF file, the atomic coordinates for the molecule are in angstroms. Is there any way that XCrySDen can print those coordinates in alat (as a function of the lattice parameter a)? Some of the structures that I create from XSF files need the precision of alat units and converting them manually is quite time consuming.

Thanks for any help.

-- 
 Izaak Williamson
Research Assistant
Physics Department
Boise State University
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