[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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