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Re: [abinit-forum] Relativistic GGA approximation?


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  • From: Mauro Sgroi <maurosgroi@yahoo.it>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Relativistic GGA approximation?
  • Date: Tue, 17 Jul 2007 09:19:42 +0200 (CEST)
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Dear Marc and Matthieu,
thanks a lot for the replies.
I contacted directly Prof. Goedecker and Hutter and
they gave me the link to download the code for the
generation of the HGH pseudopotentials for the C2PK
code.

http://cvs.berlios.de/cgi-bin/viewcvs.cgi/cp2k/potentials/Goedecker/#dirlist

Regards,
Mauro.


I contacted Prof.
--- Matthieu Verstraete <mjv500@york.ac.uk> ha
scritto:

>
> The main HGH potentials are LDA. Some GGA ones are
> on the web, and others
> have apparently been constructed by the authors. I'm
> not sure if they are
> widely available yet (not in abinit in any event).
>
> Matthieu
>
>
> --
>
================================================================
> Dr. Matthieu Verstraete
> mailto:mjv500@york.ac.uk
> Dept. of Physics, University of York, tel: +44
> 1904 43 22 08
> Heslington, YO10 5DD York, United Kingdom fax: +44
> 1904 43 22 14
>







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