[Wien] How to make Root3xRoot3 supercell

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Jun 30 09:32:20 CEST 2012


The "structeditor" utility in wien2k (but it requires the installation 
of "octave".

Am 29.06.2012 22:41, schrieb H M Sohail:
> Simple Question:
>
> How to make Root3xRoot3 supercell, since it only excepts integers..
>
> Ge(111)1x1 to Ge(111)R3xR3 is required..
>
> Help is required..
>
> Regards
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
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