[Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP

[Lorenzo Paulatto]

On Tue, 08 May 2012 11:43:22 +0200, Sven Heiles  
<Heiles at cluster.pc.chemie.tu-darmstadt.de> wrote:
> Does someone has an idea what the problem for the 4 electron
> US-PP for tin could be? Please find the generation parameters below.

Dear Sven,
first of all have a look at the ps library  
http://qe-forge.org/frs/?group_id=35&release_id=109#pslibrary-pslibrary-0-2-4-title-content  
database by Dal Corso, it may already contain what you are looking for.

If it does not, I have to admin that I got a bit lost in your message.  
What exactly do you want to do? An ultrasoft-pseudopotential for Sn with 4  
valence electrons?

bests


-- 
Lorenzo Paulatto IdR CNRS @ IMPMC/UPMC - Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www.impmc.upmc.fr/~paulatto/
mail:  23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05