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Converting norm-conserving psp's into PAW's

From: "Guillaume Dumont" <dumont.guillaume@gmail.com>
To: forum@abinit.org
Subject: Converting norm-conserving psp's into PAW's
Date: Fri, 28 Apr 2006 10:30:04 -0400
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Dear Abinit users,

We have been trying to generate PAW atomic data for the following elements: N, Ga, As for the last few months. We were able to generate a fully functionning PAW dataset for nitrogen but we encoutered problems with gallium and arsenic as reported in this previous post: http://www.abinit.org/wws/arc/forum/2006-03/msg00010.html. Since there is no need to further reduce the energy cutoff required by the Ga and As norm-conserving pseudopotentials (which is about ecut=16 Hartree compared to 35 for nitrogen), would it be possible to convert these norm-conserving psp's into PAW datasets so that we can use them in combination with the real PAW dataset we generated for nitrogen? By conversion I mean rewrite the NC psp file with the PAW formatting keeping the psp norm-conserving. Basically, what I want is a trick that allows one to use simultaneoulsy PAW datasets and NC psp's in abinit.

Any help is greatly appreciated.

--
Guillaume Dumont
=========================
guillaume.dumont.1@umontreal.ca
dumont.guillaume@gmail.com
(514) 341 5298
(514) 343 6111 ext. 13279

Converting norm-conserving psp's into PAW's, Guillaume Dumont, 04/28/2006