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Re: [abinit-forum] PP for Ga with 3d as valence

From: kostja@iss.univ.uzhgorod.ua (Konstantin Z. Rushchanskii)
To: forum@abinit.org
Subject: Re: [abinit-forum] PP for Ga with 3d as valence
Date: Thu, 3 Oct 2002 14:19:17 +0200 (Ukr)
Organization: Uzhgorod University
Return-receipt-to: kostja@iss.univ.uzhgorod.ua

Hi!
>Has anyone produced a (good, tested) Troullier-Martin pseudopotential for
>Ga with the 3d electrons as valence electrons? If this is the case, please
>let me know where I can find one.

Why you can't use the Hartwigsen-Goedecker-Hutter psp for Ga
from file 31ga.13.hgh ?

Best regards,
Konstantin

--
K.Rushchanskii, C.Sc.
Institute for Solid State Physics and Chemistry
Uzhgorod University, 54 Voloshyn St., 88000 Uzhgorod, UKRAINE
tel/fax +38 (03122) 3-23-39 e-mail: rushchanskii@mail.ru

PP for Ga with 3d as valence, Thomas Maxisch, 10/02/2002
- Re: [abinit-forum] PP for Ga with 3d as valence, Konstantin Z. Rushchanskii, 10/03/2002