<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 13 Nov 2014, at 13:15, Mona Asadi <<a href="mailto:sarina7192@yahoo.com" class="">sarina7192@yahoo.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class=""><div style="background-color: rgb(255, 255, 255); font-family: 'bookman old style', 'new york', times, serif; font-size: 13px;" class=""><div class="">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 .</div><div class="">Can anybody help ?</div><div class=""><br class=""></div><div style="font-size: 13px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;" class="">Thank u .<br class=""></div></div></div>_______________________________________________<br class="">Pw_forum mailing list<br class=""><a href="mailto:Pw_forum@pwscf.org" class="">Pw_forum@pwscf.org</a><br class="">http://pwscf.org/mailman/listinfo/pw_forum</div></blockquote></div><div class=""><br class=""></div><div class=""><br class=""></div>Hi, I understand. What you should do is to follow tutorials and/or handbooks:<div class=""><br class=""></div><div class=""><a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/" class="">http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/</a></div><div class=""><a href="http://www.quantum-espresso.org/tutorials/" class="">http://www.quantum-espresso.org/tutorials/</a></div><div class=""><br class=""></div><div class="">For example, in the latter, one of the lectures contains the answer you need:</div><div class=""><a href="http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_pwscf_ex.pdf" class="">http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_pwscf_ex.pdf</a></div><div class=""><br class=""></div><div class="">This being said, the command is pw.x < input_file > output_file , which works, provided you’ve correctly compiled/installed pw.x,</div><div class="">provided your input file does not contain mistakes and provided you know the basic knowledge on QE.</div><div class=""><br class=""></div><div class="">Hope this helps,</div><div class=""><br class=""></div><div class=""> Giovanni</div><div class=""><br class=""></div><div apple-content-edited="true" class="">
-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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