[Pw_forum] New BFGS file updated and the results is coming up.
Nicola Marzari
marzari at MIT.EDU
Thu Jul 3 19:18:20 CEST 2008
>
> I'm look forwar for your advice.
Try rutile. Try Ti metal. Try an oxygen molecule. Do they all work ?
nic
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Prof Nicola Marzari Department of Materials Science and Engineering
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