Dear All,
please ignore my previous email. I found what I was looking for in
the Dateabase. 10e GGA/PBE Ti. nice!
Thanks,
Giacomo
http://icmab.cat/leem/siesta/Databases/BasisSets/Ti/gga-pbe/
On Thu, 7 Mar 2013, Giacomo Giorgi wrote:
Dear All,
I wonder if anyone of you has a Ti pseudo (and relative basis) with
more than 4 e in the valence. I am approaching the calculation of some
optical properties of TiO2 (I suppose I am not a pioneer... ;) ) and I know
that 4e only are not sufficient. The PBE flavor would be the best.
Thanks in advance!
Best,
Giacomo
--
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
* Giacomo Giorgi *
* Assistant Professor *
* Research Center for Advanced Science and Technology (RCAST), *
* The University of Tokyo *
* 4-6-1, Komaba, Meguro-ku, Tokyo 153-8904, Japan *
* tel./fax: +81 3 5452 5442 *
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