[Pw_forum] Wrong niter_ph (error in ph.x run)
Seyed Mojtaba Rezaei Sani
s.m.rezaeisani at gmail.com
Fri Jul 22 09:54:11 CEST 2011
Dear all
I tried to calculate phonon frequencies for a system that need more
iteration number than its default, so I add niter_ph into the namelist. But,
I got this error:
#ph.in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from phq_readin : error # 1
Wrong niter_ph
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
This is my input file:
&inputph
amass(1)=*,
amass(2)=*,
amass(3)=*,
tr2_ph=1.0d-14,
prefix='*',
niter_ph = 300,
ldisp=.true.,
nq1=4 , nq2=4 , nq3=4
outdir='*',
fildyn='*.dyn',
/
Thanks
--
==========================================
Seyed Mojtaba Rezaei Sani
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel lab: +98 311 391 3731
Group page: http://cmsgroup.iut.ac.ir/
s.rezaeisani at ph.iut.ac.ir
===========================================
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