[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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