Author Topic: periodic boundary conditions  (Read 4397 times)

asaf

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periodic boundary conditions
« on: October 25, 2010, 10:09:57 pm »
Is the any way in TM for optimizing a surface slab, or  a surface with more than one slab with considering periodic boundary conditions ?
Regards.

christof.haettig

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Re: periodic boundary conditions
« Reply #1 on: November 18, 2010, 06:18:26 pm »
presently no...

Christof

pski

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Re: periodic boundary conditions
« Reply #2 on: August 29, 2011, 06:47:02 pm »
I heard that TURBOMOLE with periodic boundary conditions was in the works, and it's something I'm very interested in using. Do you expect this feature to be available anytime soon?