The ABINIT Users Mailing List ( CLOSED )

["Zhenhua Zeng" <myid520@163.com>]

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

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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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