[Pw_forum] atomic positions in xsf from cppp.x

Giovanni La Penna glapenna at iccom.cnr.it
Wed Mar 16 10:45:26 CET 2011


Please, have a look in the xcrysden documentation:

http://www.xcrysden.org/doc/XSF.html

            Giovanni

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Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
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>
> On Mar 8, 2011, at 6:15 , Riping WANG wrote:
>
>> when I use cppp.x to generate an xsf file for an vc-cp output file
>> with nstep=1000 there will be cell vectors and atomic positions in
>> xsf file. what is this cell vectors and atomic positions stand for?
>



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