Re: problem with periodic boundaries

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jul 03 2007 - 17:09:40 CDT

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Hi Philipp,
it should be fine to just use non-orthogonal unit vectors for most
purposes; you just need to find the vectors defining your solid.
Best,
Peter

Philipp Schön wrote:
> dear users,
> i have a solid surface of 011 orientation which results in a rhombic like structure, i.e. it is not strictly rectangular. One gets something like this:
> xxxxxxxx
> xxxxxxxx
> xxxxxxxx
> xxxxxxxx
> xxxxxxxx
> xxxxxxxx
> xxxxxxxx
> how can i define the cartesian boundary conditions?
> cheers
> philipp
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