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[abinit-forum] prtdos in Anaddb of Abinit 5.6.4


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  • From: <6671011@163.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] prtdos in Anaddb of Abinit 5.6.4
  • Date: Tue, 13 Jan 2009 00:30:42 +0100 (CET)

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



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