[Pw_forum] the input error

[Ari P Seitsonen]

Dear Mourad,

   Please use ".", not ",", in the masses; that's why you get these 
strange file names "327" for a pseudo potential/PAW.

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Institut für Chemie der Universität Zürich, CH-8057 Zürich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Sat, 8 Mar 2014, mourad boujnah wrote:

> 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 BOUJNAHPhD 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
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought"
> 
>