[Pw_forum] from phq_readin : error # 19
Paolo Giannozzi
p.giannozzi at gmail.com
Thu Apr 20 13:08:44 CEST 2017
pseudo_dir is not an input variable of the phonon code, IIRC. Paolo
Il 20/apr/2017 11:36 AM, "Daniel Reta" <daniel.reta at manchester.ac.uk> ha
scritto:
> Dear all,
>
> I am trying to run a phonon calculation at the gamma point. This is my
> input
>
> &inputph
> prefix='Dy_III',
> pseudo_dir='CurDir',
> outdir='Scratch',
> epsil=.true.,
> fildyn='dyn.G',
> tr2_ph=1.0d-14
> /
> 0.0 0.0 0.0
>
> where CurDir and Scratch are defined in the same manner as in the previous
> scf calculation which converged properly. Dy_III is the prefix for the wfc
> of the previous calculation.
>
> I get the following error printed in the CRASH file
>
>
> task # 1
> from phq_readin : error # 19
> reading inputph namelist
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> task # 5
> from phq_readin : error # 19
> reading inputph namelist
>
>
> and this
>
> Error in routine phq_readin (19):
> reading inputph namelist
>
> in the output file.
>
> Could anyone please indicate me what I am doing wrong?
>
> Best regards
>
> ========================
>
> Dr. Daniel Reta,
> Post-doctoral Research Associate,
> Computational Chemistry, School of Chemistry
> University of Manchester
>
> Email: daniel.reta at manchester.ac.uk
>
> ========================
>
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