[CPMD-list] zinc Martins-Troullier pseudopotential

[Axel Kohlmeyer]

On Wed, 27 Feb 2008, Marius Retegan wrote:

MR> Dear CPMD'ers,

dear marius,

MR> I'm looking for the pseudopotential used in this article *J. Am. Chem. Soc.,
MR> * *126* (39), 12661 -12668, 2004.
MR> 10.1021/ja048071b<http://pubs.acs.org/cgi-bin/abstract.cgi/jacsat/2004/126/i39/abs/ja048071b.html>

have you tried contacting the authors of the paper directly?

in the CPMD pseudopotential libraries (Mauro Boero's collection 
to be exact) we have only the one from:

 J. Blumberger, I. Tavernelli and M. L. Klein,
    Abstr. Papers Am. Chem. Soc. 230 U2880 234-Phys (2005)

which should actually have improved properties at 
the expense of a slightly higher cutoff requirement. 
you can download it from juerg hutter's "information" page.

cheers,
    axel.


MR> .
MR> Thank you
MR> 

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