[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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