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Re: [abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?

From: matthieu verstraete <matthieu.jean.verstraete@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?
Date: Fri, 7 Aug 2009 11:52:27 +0200
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This is not yet available. Wait for at least version 6, which will be
published in a few months.

2009/8/7 yx_pxmu <yx_pxmu@163.com>:
> Dear all,
> Have anyone tried to calculate phonon spectrum using PAW or PAW+U ?
> As I am dealing correlated electron system. I tried but got:
>
> chkint: ERROR -
> Context : the value of the variable optdriver is 1.
> The value of the input variable iscf is 17,
> while it must be smaller or equal to 9.
> Action : you should change the input variables iscf or optdriver.
> -P-0000-P-0000 leave_new : decision taken to exit ...
>
> Any suggestions? Thanks!
>
> yuanxun
>
>
>
>
> ________________________________
> 没有广告的终身免费邮箱,www.yeah.net

--
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
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Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500

[abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?, yx_pxmu, 08/07/2009
- Re: [abinit-forum] {Spam?} Can we calculate phonon spectrum using PAW or PAW+U?, matthieu verstraete, 08/07/2009