[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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