[Pw_forum] Error in cppp.x

katrin me me.katrin18 at gmail.com
Tue Jan 31 13:16:42 CET 2017


Dear all,

I am getting an error while post processing using cppp.x

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

At line 302 of file fpmdpp.f90 (unit = 11)
Fortran runtime error: Cannot open file '/home/Desktop/tmp/three.cel': No
such file or directory

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I searched in the QE forum about this and found out that this problem
being reported many times in the forum:

http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html
http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html

http://qe-forge.org/pipermail/pw_forum/2012-July/098942.html.

Having read those, I'm still getting error.

Although I'm using Q.Espresso.6.0 and espresso-5.0.1, but didn't work either!

This is my input file for cppp.x:

&inputpp

  outdir = '/home/Desktop/tmp',
  prefix = 'three',
  fileout = 'three.pos',
  output = 'xsf',
  ndr= 52,
  !lcharge=.TRUE.,
  atomic_number(1)= 6
  atomic_number(2)= 14
/

Best regards

Katrin
-- 
*****************************************************
Katrin Me, PhD student
Laboratory Modeling and simulation
University of Mohammed V-Rabat
*****************************************************
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