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Unable perform cell relaxation with PAW potentials

From: "Sergey Lisenkov" <proffess@yandex.ru>
To: forum@abinit.org
Subject: Unable perform cell relaxation with PAW potentials
Date: Fri, 9 Sep 2005 22:22:38 +0400 (MSD)

Dear Abinit authors and users,

I try to perform some calculations with zinc blende AlP. I want to use PAW
potentials. But when I relax unit cell with optcell=1 I got the strange
behavior (see attached log file). The same error I got with USPP-OPTIMIZED
potentials. Any idea?

I use the 4.6.3 version. All files are attached.

Thanks,
Sergey

Attachment: alp.tar.gz
Description: Binary data

Unable perform cell relaxation with PAW potentials, Sergey Lisenkov, 09/09/2005
- <Possible follow-up(s)>
- Re: Unable perform cell relaxation with PAW potentials, paul . boulanger, 09/09/2005
  - Re: [abinit-forum] Re: Unable perform cell relaxation with PAW potentials, Sergey Lisenkov, 09/09/2005
- Re: Re: Unable perform cell relaxation with PAW potentials, marc . torrent, 09/12/2005
  - Re: [abinit-forum] Re: Re: Unable perform cell relaxation with PAW potentials, Sergey Lisenkov, 09/12/2005
- Re: Re: Re: Unable perform cell relaxation with PAW potentials, marc . torrent, 09/12/2005