<div dir="ltr"><div>Dear PWSCF users, <br></div><div><br></div><div>I would like to
report an apparent bug occuring when using the code cppp.x in version
qe62. When using cppp.x to generate axsf trajectory files, with input
cppp.inp (below) the code answers: <br></div><div> <br></div><div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> task # 0<br> from cppp : error # 1<br> Cannot open file .//CaCl2-62wrl_51.save//data-file.xml<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br></div><div>And indeed, the file data-file.xml is not generated in teh current version, replaced(?) by <br></div><div>data-file-schema.xml.
Bur renaming this last file does not solve this problem. So it seems
that cp.x has evolved in its output, but that cppp was not adapted. Am I
correct? Has this point been fixed in former versions? <br></div><div><br></div><div><div>input file cppp.inp:</div><div>&INPUTPP<br>prefix='CaCl2-62wrl',<br>fileout='CaCl2-62wrl',<br>output='xsf',<br>lforces=.false.,<br>ldynamics=.true.,<br>lpdb=.false.,<br>nframes=86,<br>ndr=51,<br>&END<br></div></div><div><br></div><div><div>Thank you in advance for your help, <br><br></div>Best regards, </div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Merlin Méheut<br>adresse labo:<br>GET - OMP - Université Paul Sabatier <br>14 avenue Edouard Belin<br>31400 Toulouse<br>FRANCE <br>tel: (+33) 5 61 33 26 17<br><br></div></div></div>