forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] pspxc

From: florine bonald <florine.bonald@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] pspxc
Date: Wed, 22 Apr 2009 19:33:25 +0500
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:in-reply-to:references:date:message-id:subject:from:to :content-type; b=o2JdkvsFL7b5zwNtk0+Dq1Ed1lOU2oKGcrs5366hLPM5Cl1uFfPc5qpyegfYMUC31W xMDwuLVdXSfVl5+bSQHCrNz2Mv+EufRcvqj5UUM/t04xJZp0VQ4unrrK3/kiWVICHxBY ipmp76RKrwmdUdUAkT1CPoINehZhH1+tSgpAY=

Hi,

Reading the answer of this question and the question I had on pseudopotentials a couple of days ago, it is obvious that changing ixc alone in the input file does not have much effect on the results. Therefore, for any new amount of ixc in the input, we have to regenerate the pseudopotential, is that right?

Not scaping from the difficulty, but obtaining a well-tested pseudo is a demanding job. Please let me know if there is another way to obtain the TM pseudos for different XC.

Regards,
Florin

[abinit-forum] pspxc, farah marsusi, 04/22/2009
- Re: [abinit-forum] pspxc, Andrew M. Rappe, 04/22/2009
- Re: [abinit-forum] pspxc, florine bonald, 04/22/2009
  - Re: [abinit-forum] pspxc, Anglade Pierre-Matthieu, 04/24/2009