[Wien] geometry of interfaces

[Chandrika]

Hello,
I want to derive the optimised geometry of an interface of a metal with a ceramic (Si with SiO2). Is it possible to do this with MINI or PORT. Which is preferred here? 

Would it be possible to carry out such optimisations in a 8 node cluster with 2x2x2 supercells?

Also is there any way of deriving volume increase at finite temperatures?
Thank you for your suggestions.
Chandrika
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Dr (Ms) Chandrika Varadachari
Raman Centre for Applied and Interdisciplinary Scioences
16 A Jheel Road
Calcutta 700075
India

Tel : 91-33-24830029
Fax 91-33-24180610
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