> 
> I'm look forwar for your advice.

Try rutile. Try Ti metal. Try an oxygen molecule. Do they all work ?

                        nic


-- 
---------------------------------------------------------------------
Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

Reply via email to