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
========================
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