[Pw_forum] Wrong niter_ph (error in ph.x run)

[Eyvaz Isaev]

Hi, 
I am sorry, but probably, you read the forum not so carefully.  Quite recently there was a query:

 Re: [Pw_forum] ph.x cannot reach convergence within 100 steps 

and followed replies on my side. Please find this thread in the forum archive.

Besides, the message you got just means that there is no niter_ph keyword in &inputph namelist.

Bests,
Eyvaz.
 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


________________________________
From: Seyed Mojtaba Rezaei Sani <s.m.rezaeisani at gmail.com>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Friday, July 22, 2011 11:54 AM
Subject: [Pw_forum] Wrong niter_ph (error in ph.x run)


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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