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

Lorenzo Paulatto Lorenzo.Paulatto at impmc.upmc.fr
Tue May 8 12:41:31 CEST 2012

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  
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?


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

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