<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=""><div class=""><br class=""></div>Use pp.x (see INPUT_PP.txt for detailed input variables description) with plot_num=7.<div class="">Among the many, you should set:</div><div class="">- kpoint, to select which k-point of the *LATEST* scf or ncsf run</div><div class="">- kband, to select the eigenfunction of which band at the selected k-point you want to plot</div><div class="">- lsign, if you want to visualise also the sign of the wave function and the k-point you select corresponds to Gamma point</div><div class=""><br class=""></div><div class="">Choose XCrysDen output, then you’ll be able to open the output with XCrysDen and display isosurfaces.</div><div class=""><br class=""></div><div class="">Adding an affiliation to messages sent to this mailing list is usually welcome!</div><div class=""><br class=""></div><div class="">Giovanni<br class=""><div class=""><br class=""><div class=""><div><blockquote type="cite" class=""><div class="">On 16 Nov 2016, at 12:30, alberto <<a href="mailto:voodoo.bender@gmail.com" class="">voodoo.bender@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><p dir="ltr" class="">Hi,<br class="">
I would plot isosurfaces homo lumo of a 3D structure. I produced an output with pw.x (nscf calculation) and I calculated the levels of energies for path of 32K points and for only gamma point. How I could fix it?</p><p dir="ltr" class="">Al</p>
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-- <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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