pseudo_dir is not an input variable of the phonon code, IIRC. Paolo Il 20/apr/2017 11:36 AM, "Daniel Reta" <daniel.r...@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.r...@manchester.ac.uk > > ======================== > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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