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 f?r Chemie der Universit?t Z?rich, CH-8057 Z?rich
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"
>
>
