<br>pls write the density in xsf format and visualise in xcrysden<br><div class="gmail_quote">On Sat, Oct 31, 2009 at 1:00 PM, mohnish pandey <span dir="ltr"><<a href="mailto:mohnish.iitk@gmail.com">mohnish.iitk@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Dear user,<br> I have done the vc-relax calculation of zinc oxide (zno) by quantum espresso (pw.x). I want to visualize the charge density , bond etc. from xcrysden. Actually the output from it is save in zno.save folder and also a file naming zno.wfc1(size = 5.2 MB!!!!) . Can anyone please tell me how to extract information from zno.save folder or zno.wfc1 file for charge density bonds etc. to visulaize it.<br clear="all">
<br>Thanks in advance,<br>Sincerely,<br>Mohnish<br><font color="#888888">-- <br>Mohnish Pandey<br>Y6262,4th Year Undergraduate,<br>Department of Chemical Engineering,<br>IIT KANPUR<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Yours sincerely,<br><br>Jibiao Li<br><br>State Key Lab of Corrosion and Protection (SKLCP)<br>Institute of Metal Research (IMR)<br>Chinese Academy of Sciences (CAS), China<br>
Phone: 024-23971339<br>Email: <a href="mailto:jibiaoli@gmail.com">jibiaoli@gmail.com</a><br>