[CPMD-list] Pseudopotential of Chlorine

[Juerg Hutter]

Hi

attached is a PP generated with the same cutoff values
as the one in the library for revPBE (Cl_MT_revPBE.psp).
No warrenty that this is any good.
TEST IT YOURSELF!

regards

Juerg Hutter

PS: you can find the Hamann atomic code and a PP library
at my web page
http://www.pci.unizh.ch/gruppe.hutter/e/information.html

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 1 635 4491
Physical Chemistry Institute   FAX   : ++41 1 635 6838
University of Zurich           E-mail: hutter at pci.unizh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
----------------------------------------------------------


On Tue, 11 Jan 2005, Claudio Melis wrote:

> Dear CPMD users,
> I'm looking for a Martin Troullier pseudopotential with the PBE
> functional for chlorine.
> Does anybody know where I can find it ?
> Thanks
> Claudio Melis
>
> _______________________________________________
> CPMD-list mailing list
> CPMD-list at cpmd.org
> http://cpmd.org/mailman/listinfo/cpmd-list
>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Cl_MT_PBE.gz
Type: application/octet-stream
Size: 35202 bytes
Desc: 
Url : http://cpmd.org/pipermail/cpmd-list/attachments/20050113/182da8b0/attachment.obj