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["matthieu verstraete" <matthieu.jean.verstraete@gmail.com>]

In the next version of abinit (5.7) Matteo Giantomassi has properly activated prtdos in anaddb. If you can't wait, you'll have to do what Zhenhua mentioned.

Matthieu

On Tue, Jan 13, 2009 at 1:44 AM, Zhenhua Zeng <myid520@163.com> wrote:

Hi Guangfu,

You should read the mailling list in Dec. 4 2007 with the topic 'projected Phonon DOS'
I.e. 17ddb/mkphdos.F90 should be changed a bit for prtdos=1.

Best Wishes
Zhenhua Zeng

-------------------------------------------------------------
From：6671011
sent:：2009-01-13 07:31:08
To：forum@abinit.org
Subject：[abinit-forum] prtdos in Anaddb of Abinit 5.6.4

>
>Dear friends,
>
>After getting the phonon band structure by running the trf2_5 in tutorespfn, I
>add
>        ng2qpt 20 20 20
>        prtdos 1
>to calculate the phonon DOS. However, anaddb refuses to work and exports the
>following error:
>      invars9 : ERROR -
>      ifcflag must be 1 when the calculation of the phonon DOS is required
>      Action : correct ifcflag in your input file.
>The wired thing is that trf2_5.in does set ifcflag=1.  So why does anaddb
>ignore it in this case?
>
>Thanks a lot.
>
>Sincerely,
>Guangfu Luo

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

European Theoretical Spectroscopy Facility (ETSF) 
Dpto. Fisica de Materiales, 
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Mail : matthieu.jean.verstraete@gmail.com
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