[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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