[CPMD-list] need hydrogen PP with GGA XC energy

[Alexandr Isayev]

Dear Hakan,
Please check pseudo_ext.tar.gz or pseudo_vdb.tar.gz (either
norm-conserving or ultrasoft PPs) that come with CPMD distribution.
There are many PP for different GGAs.

Optionally please check list archive and links 3 and 4 on http://www.cpmd.org/cpmd_links.html
page if you would like to do it yourself.

Sincerely,
Alexandr


Wednesday, May 3, 2006, 8:25:02 PM, you wrote:

gue> Hi,

gue> I need a PP for hydrogen with GGA exchange correlation. Could you 
gue> please inform me about how can I obtain/generate such PP for hydrogen?

gue> Regards, Hakan
gue> _______________________________________________
gue> CPMD-list mailing list
gue> CPMD-list at cpmd.org
gue> http://cpmd.org/mailman/listinfo/cpmd-list



-------------------------------------------------------
Alexandr Isayev,
Graduate Research Assistant, and System Administrator
@ Computational Center for Molecular Structure
and Interactions (CCMSI),
Jackson State University,
Jackson, MS USA
   Tel:  +(601) 979-1134
e-mail:  alex(at)ccmsi.us
   Web:  http://www.ccmsi.us
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