<P>
Dear All,<BR>
I know this is a very basic question but I would like to know which example; Example03 or VCSexample should be used to optimize any structure. Example03 gives the optimized positions but not the cell dimensions while VCSexample(runs for more than a day) gives both the optimized cell dimensions and cell positions (but not close to the experimental ). Please do help. Thank you in advance. <BR>
</P>
SATHYA SHEELA.S
<br>
Grad. Student
<br>
Department of Physics
<br>
National Institute of Technology
<br>
Tiruchirapalli - 620015
<br>
India<br><br>
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