[Pw_forum] the input error

manchugh at iitk.ac.in manchugh at iitk.ac.in
Sat Mar 8 13:04:10 CET 2014


>From your input file, it seems that the pseudopotential directory and
out_dir names are same. Give them different names and correct the paths.

Best,
Manjusha
Research Scholar
Department of Chemistry
Indian Institute of Technology,Kanpur
U.P., India 208016

> 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
> at
>      http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO
>
>      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 ...
> ----------------------------------------------------------------------------------------
>
> Cordially
> --
> Mourad BOUJNAH
> PhD Student in laboratory of magnetism and physics of high energy
> Faculty of Sciences in Rabat - Morocco
> Tel: *+212 **677316706*
> Email:
> *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"*
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