[QE-users] cppp.x error
Muhydeen Olakunle Adelani
mo.adelani at gmail.com
Mon Mar 18 18:01:23 CET 2019
Dear QE User,
I am getting an error while post processing using cppp.x in qe-6.3 and qe-6.4
task # 19
from cppp : error # 1
Cannot open file .//cp_51.save//data-file.xml
So I searched in the QE forum about this and found out that Paolo has
already given a solution for this in the following post dated 2008.
http://www.democritos.it/pipermail/pw_forum/2008-May/009022.html
I don't know why the code stick to the default value of ndr(51)
instead of using the one generated from the previous run.
I attached my input file.Please help me on this.
&INPUTPP
prefix = 'FG12,
fileout = 'postproc',
outdir = './tmp/',
output = 'xsf',
ndr = 94,
charge =.false.,
atomic_number(1)=26,
atomic_number(2) = 31,
ldynamics =.true.,
nframes = 200,
/
Greeting.
PhD Student
Centro de Investigacion en Materiales Avanzados,S.C.
Mexico.
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