<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="">You are giving as an output the xsf (XCrysDen format) version of the 3D FFT file, whereas the input should be the output of pp.x (the name is associated with the fileplot variable in the INPUTPP nameless of pp.x)<div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 27 Jan 2016, at 16:28, Karim Elgammal <<a href="mailto:egkarim@gmail.com" class="">egkarim@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">Dears;</div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">I am trying to get the delta Rho (charge differences) along the z direction, I want to plot it vs. z value.</div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">so, I am using average.x on the delta rho mesh file, but I get this</div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small"><p class=""><span class="">forrtl: severe (174): SIGSEGV, segmentation fault occurred</span></p></div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">the inputs are here: <a href="https://copy.com/aVW4xU8YzO6yvjuR" class="">https://copy.com/aVW4xU8YzO6yvjuR</a> </div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small"><br class=""></div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">hope you can help me. If there is other ways for such calculations, I would be pleased to know about.</div>
<div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small"><br class=""></div><div class=""><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">Karim Elgammal</div><div class="gmail_default" style="font-family:verdana,sans-serif;font-size:small">PhD student in KTH.</div></div><br class="">
</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><br class=""><div 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="">
</div>
<br class=""></div></body></html>