[Pw_forum] How to find pbe-van_ak pseudopotentials?

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Mon Aug 21 17:06:38 CEST 2017

On 21/08/17 16:54, Huu Chuong Nguyën wrote:
> For consistency, I need this kind of ultra-soft pseudopotential also for other elements such as Zn, Sn, Co, Ni, ... they should have their name like "Zn.pbe-sp-van_ak.UPF" or maybe "Zn.pbe-van_ak.UPF".
The "AK" acronym means that those files where designed by Axel 
Kohlmeyer, you do not need to have all the pseudopotentials from the 
same author. Just take any PBE ultrasoft pseudopotentials; you maye have 
a look at this page: http://materialscloud.org/sssp/ where some "best 
choice"¹ PBE pseudopotential is listed for each element.


1) according to some criteria

Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05

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