[QE-developers] Question about PHonon

[hisabbit at yahoo.co.jp]

Dear Developer group of Quantum Espresso,
My name is Hisayoshi Kobayashi, Emeritus Professor of Kyoto Institute of Technology.I send you e-mail first time.Recently I started phonon calculation of polymers using Quantum Espresso.I met a trouble that QE program stopped if the number of atoms exceeds 10.I found that the origin of the problem is related to "namelist" part in the case of parallel calculations. 
I serached semilar questions in the thread of QE-Developers Archives, and found the following, but the answer is not given there.So I would like to ask you to solve this problem.  
I repeat my request. I hope to calculated phonon frequency for several k-points, where more than ten atoms are included in the unit cell. 
 I hope you will not ignore my question.
Sincerely yours,Hisayoshi Kobayashi
Emeritus Professor of Kyoto Institute of Technology. 
 





[Pw_forum] error in reading namelist
 Mahdi Faghih nasiri mahdi_fn109 at yahoo.com 
 Thu Dec 27 16:34:05 CET 2012    
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  Dear all,
I am trying to run an ph calculation but the code complains:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from phq_readin : error #        19
     reading inputph namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I have checked input file but could not find anything wrong.:

 /
 &inputph
  tr2_ph=1.0d-14,
  ldisp=.true.,
  nq1=4, nq2=4, nq3=1
  amass(1)= 12.0107 ,
  amass(2)= 12.0107 ,
  amass(3)= 12.0107 ,
  amass(4)= 12.0107 ,
  amass(5)= 12.0107 ,
  amass(6)= 12.0107 ,
  amass(7)= 12.0107 ,
  amass(8)= 12.0107 ,
  amass(9)= 12.0107 ,
  amass(10)= 12.0107 ,
  amass(11)= 12.0107 ,
  amass(12)= 12.0107 ,
  outdir='/root/Desktop/QE/out/1',
  fildyn='1.dyn',
 /




 
Mahdi Faghih nasiri
MSC,
Guilan University,
Rasht, Iran.
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