[Pw_forum] Normconserving LDA pseudopotentials

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Wed Jan 21 10:46:29 CET 2015


On 21/01/15 09:05, Winfred Mulwa wrote:
>
> Dear all,
> I want to run a calculation using Ti norm conserving LDA pseudo potentials
> which have not been converted from another format. Somebody to help me ,
>   how do i get this peudopotentials and they are not available in
> quantum espresso.
> Kind regards

There are two such pseudopotentials here:
<http://www.quantum-espresso.org/pseudo-search-results/?el_id=22&unp_id=7&fun_id=10&colum_k&origin_id>

One includes semi-core states, the other does not.

kind regards


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05



More information about the users mailing list