<br clear="all">Hello everyone,<br><br>I'm confronting a probably stupid problem with cppp.x! I saw this problem being reported two times in the forum:<br><br><a href="http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html" target="_blank">http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html</a><br>


<br><a href="http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html" target="_blank">http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html</a><br><br>Having read those, I'm still getting the following error:<br>

<br>
Cannot open file ....espresso/out/cp_51.save/data-file.xml<br><br>I checked the corresponding address, and the files are there!<br>and I also renamed the save directory and files to match the default cp_51 and .....<br><br>

<br>This is my input file for cppp.x:<br><br><br>&INPUTPP<br>!  prefix=Anatase,<br>   fileout=out,<br>   output=xsf,<br>   outdir=..mypath../espresso/out,<br>   wfcdir=..mypath../espresso/out,<br>   lcharge=.TRUE.,<br>

   lforces=.TRUE.,<br>   ldynamics=.TRUE.,<br>   lpdb=.TRUE.,<br>   lrotation,<br>   ns1, ns2, ns3,<br>   np1, np2, np3,<br>   nframes=50,<br>!   ndr=90,<br>!   ndw=91,<br>   atomic_number(1) 22<br>   atomic_number(2) 8,<br>

   charge_density,<br>   state= KS_1,<br>   lbinary=.TRUE.<br>/<br><br>Although I'm using Q.Espresso.5, I tried to replace fpmdpp.f90 with the file provided by Paolo in the second link!<br>That didn't work either!<br>

<br>Many thanks,<br>Nash<br><br><br>