[Pw_forum] the input error

mourad boujnah boujnah.mourad at gmail.com
Sat Mar 8 12:21:33 CET 2014

Dear user's and developer's

I'm a new user in QE code and i have some problem to generate  the input of
my system please some one give me the correct answer of this and thank you
in advance.
you find it attached and the error below :
     Program PWSCF v.4.3.1      starts on  8Mar2014 at 11:18:44

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3
     Waiting for input...

     from readpp : error #        29
     file /home/boumdyan/Quantum espresso/BaFeMoO/327 not found

     stopping ...

PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Tel: *+212 **677316706*
*boujnah.mourad at gmail.com <boujnah.mourad at gmail.com>**"Research is to see
what everybody else has seen, and to think what nobody else has thought"*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140308/19efb6b7/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: BaFeMoO.scf.in
Type: application/octet-stream
Size: 1279 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140308/19efb6b7/attachment.obj>

More information about the users mailing list