[QE-users] problem with cppp version qe62

[Merlin Meheut]

Dear PWSCF users,

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:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         0
     from  cppp  : error #         1
      Cannot open file .//CaCl2-62wrl_51.save//data-file.xml
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

And indeed, the file data-file.xml is not generated in teh current version,
replaced(?) by
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?

input file cppp.inp:
&INPUTPP
prefix='CaCl2-62wrl',
fileout='CaCl2-62wrl',
output='xsf',
lforces=.false.,
ldynamics=.true.,
lpdb=.false.,
nframes=86,
ndr=51,
&END

Thank you in advance for your help,

Best regards,


-- 
Merlin Méheut
adresse labo:
GET - OMP   - Université Paul Sabatier
14 avenue Edouard Belin
31400 Toulouse
FRANCE
tel: (+33) 5 61 33 26 17
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