Oh wow, that was embarrassing! sorry for the silly question.
However, now I get another error, which I hope is not as silly
Error in routine diropn (10):
error opening /scratch/mbdssdr5/QE/Dy_III-Cl_O/Dy_III.wfc5
Cheers
========================
Dr. Daniel Reta,
Post-doctoral Research Associate,
Computational Chemistry, School of Chemistry
University of Manchester
Email: [email protected]
========================
________________________________________
From: [email protected] [[email protected]] on behalf of
Paolo Giannozzi [[email protected]]
Sent: 20 April 2017 12:08
To: PWSCF Forum
Subject: Re: [Pw_forum] from phq_readin : error # 19
pseudo_dir is not an input variable of the phonon code, IIRC. Paolo
Il 20/apr/2017 11:36 AM, "Daniel Reta"
<[email protected]<mailto:[email protected]>> 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: [email protected]<mailto:[email protected]>
========================
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