[CPMD-list] Vanderbilt pseudopotential

[Juerg Hutter]

Hi

the pseudopotential program can be downloaded from
David Vanderbilts home page (http://www.physics.rutgers.edu/~dhv/).

Pseudopotentials generated by this program are in binary form.
Therefore it makes no sense to make them available at this
site.

A typical PP line in the CPMD input, that reads the binary files
generated by this atomic code looks like

*ppname  NEWF BINARY

regards

Juerg

----------------------------------------------------------
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
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On Tue, 2 Jul 2002, Shiwu Gao wrote:

> Hi,
> 
> I just downloaded home the new version (v3.5.2) of CPMD, which
> provides interfaces to the Vanderbilt pseupotential. I could 
> not find however any pseudopotentials in the package, nor the 
> programs/instructions regarding how to obtain those pseudopotentials. 
> Can anybody tell me where I can find these information?
> 
> Best regards,
> 
> Shiwu Gao from 
> Chalmers, Sweden
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