[Pw_forum] Four Electron Pseudopotnetial for tin: US vs NC-PP
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.
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
Lorenzo Paulatto IdR CNRS @ IMPMC/UPMC - Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
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