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<DIV><FONT face=Arial size=2>Hello,</FONT></DIV>
<DIV><FONT face=Arial size=2>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? </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Would it be possible to carry out such
optimisations in a 8 node cluster with 2x2x2 supercells?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Also is there any way of deriving volume increase
at finite temperatures?</FONT></DIV>
<DIV><FONT face=Arial size=2>Thank you for your suggestions.</FONT></DIV>
<DIV><FONT face=Arial size=2>Chandrika</FONT></DIV>
<DIV><FONT face=Arial
size=2>----------------------------------------------------------------------------------</FONT></DIV>
<DIV><FONT face=Arial size=1>Dr (Ms) Chandrika Varadachari<BR>Raman Centre for
Applied and Interdisciplinary Scioences<BR>16 A Jheel Road<BR>Calcutta
700075<BR>India</FONT></DIV>
<DIV><FONT size=1></FONT> </DIV>
<DIV><FONT face=Arial size=2><FONT size=1>Tel : 91-33-24830029<BR>Fax
91-33-24180610<BR></FONT> </FONT></DIV></BODY></HTML>