[Pw_forum] norm conserving Ti pseudopotential

[Nicola Marzari]

On 3/16/11 5:49 PM, Tyler Gordon wrote:
> Hello,
> I am a new user of QE. I am looking for a norm conserving
> pseudopotential for Ti. If anybody has created it, may I request it?
> Thank you.


Worse case scenario: download/compile the fritz-haber pseudopotential
code, generate the troullier-martins Ti there, and convert it to UPF
with the fhi2upf tool in the upftools directory of Q-E. Check that it
works in calculations where you use ultrasoft Ti instead.

One question - any volunteer to convert the entire fritz-haber database
in upf format ?

			nicola

-- 
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Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM