hi mohnish<br>You have to plot the charge density (xsf format) and for the bonds you can directly open the output files produced by Pw.x. the file, zno.wfc1 are temp files.<br>take care<br>Dev <br>University of Delhi,<br>
India<br><br><div class="gmail_quote">On Sat, Oct 31, 2009 at 5:30 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>
</font><br>_______________________________________________<br>
XCrySDen mailing list<br>
<a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
<a href="http://www.democritos.it/mailman/listinfo/xcrysden" target="_blank">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
<br></blockquote></div><br>