[Pw_forum] ultrasoft pseudopotentials for Cs and I

Stefano Baroni baroni at sissa.it
Sun Oct 15 07:31:06 CEST 2006


norm-conserving PP's are rather soft in this case because the cores  
avery very large, even including semi-core states in the valence ...

SB

On Oct 15, 2006, at 4:51 AM, li yan wrote:

> deer all,
>        Does anyone know where I can find the ultra-soft  
> pseudopotentials for Cs and I ?
>  best regards
>
> 抢注雅虎免费邮箱-3.5G容量,20M附件!

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20061015/92e6c6e7/attachment.htm 


More information about the Pw_forum mailing list