[Pw_forum] norm conserving Ti pseudopotential

[Paolo Giannozzi]

On Mar 16, 2011, at 19:01 , Nicola Marzari wrote:

> 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.

this can be done directly with the "atomic" code in QE. Generating a  
single-channel
norm-conserving PP without semi-core states is trivial and well  
documented.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222