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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
- [abinit-forum] prtdos in Anaddb of Abinit 5.6.4, 6671011, 01/13/2009
- Re: [abinit-forum] prtdos in Anaddb of Abinit 5.6.4, Zhenhua Zeng, 01/13/2009
- Re: [abinit-forum] prtdos in Anaddb of Abinit 5.6.4, matthieu verstraete, 01/13/2009
- Re: [abinit-forum] prtdos in Anaddb of Abinit 5.6.4, Zhenhua Zeng, 01/13/2009
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