[Pw_forum] from phq_readin : error # 19

Daniel Reta daniel.reta at manchester.ac.uk
Thu Apr 20 11:36:20 CEST 2017


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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