<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br></div>Since there is an arbitrariness in the choice of the phase of the wavefunction, one usually visualizes its squared modulus. At k=(0,0,0) the wavefunctions can be chosen real, so that you can plot sign(psi)*|psi|^2 by setting lsign=.TRUE.<div><div>Anyway, for some purpose you may want to visualize both the modulus and the complex phase of the wavefunction. I think this is not implemented in pp.x, but I remember some posts about that dating roughly 1 year ago, or so. You may try a search in the archives (something like: 'wavefunction phase plot site:democritos.it' on google). Moreover, some other postprocessing utility may already be implementing this feature (perhaps pw2casino, just a guess), since the .wfc files in principle should store all the necessary information.</div><div><br></div><div>Regards,</div><div><br></div><div>GS</div><div><br></div><div><br></div><div><div><div>Il giorno 31/mag/10, alle ore 05:27, seunghwan lee ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Hi All,<br><br>I am trying to plot some orbitals of my system (CNT with metal). I see the<br>option plot_num=7 for pp.x to plot |psi|^2, but is there any way to plot<br>the orbital itself, not the square of orbital?<br><br>Thanks for your help.<br><br>Seunghwan Lee<br>University of North Carolina <br><br><br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></div></blockquote></div><br><div> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div></span> </div><br></div></div></body></html>