[Pw_forum] Running commands

[Giovanni Cantele]

> On 13 Nov 2014, at 13:15, Mona Asadi <sarina7192 at yahoo.com> wrote:
> 
> Im trying to run a very simple case , which is about the first example input file of the tutorial . atom.in in quantum expresso tutorial . but I dont know by which command I can run it and get its ground state energys .
> Can anybody help ?
> 
> Thank u .
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Hi, I understand. What you should do is to follow tutorials and/or handbooks:

http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/ <http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/>
http://www.quantum-espresso.org/tutorials/ <http://www.quantum-espresso.org/tutorials/>

For example, in the latter, one of the lectures contains the answer you need:
http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_pwscf_ex.pdf <http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_pwscf_ex.pdf>

This being said, the command is pw.x < input_file > output_file   , which works, provided you’ve correctly compiled/installed pw.x,
provided your input file does not contain mistakes and provided you know the basic knowledge on QE.

Hope this helps,

    Giovanni

-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele

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