[Pw_forum] Super Cell

Stefano Baroni baroni at sissa.it
Wed Aug 18 15:45:22 CEST 2010

Sure you can! Who else should determine the atomic positions?
Can you explain a little better what the problem is? 

On Aug 17, 2010, at 8:03 PM, Vinícius Bertuzzo Lima wrote:

> Please, it is possible to do this:
> I was wondering how to proceed the calculus by considering a cell where I determine the exact place where the atoms are located.
> I want to determine by myself the coordinates for each atom in the lattice.
> Vinícius Bertuzzo Lima
> Student of chemical in "Universidade Estadual Paulista - Unesp - FC" Brazil-SP
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Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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