[Pw_forum] How to use pp.x and xcrysden to plot 3d charge density

Dan Gil dan.gil9973 at gmail.com
Tue Feb 6 04:37:07 CET 2018


Hi,

I found this: http://qe-forge.org/pipermail/pw_forum/2009-April/087106.html

But I am still unable to generate a file that is readable by xcrysden.

The pp.x input I am using is this:

-----
 &INPUTPP
                      outdir = 'bulkQuartz' ,
                     filplot = 'out' ,
                    plot_num = 0,
 /
 &PLOT
                       nfile = 1 ,
                   weight(1) = 1.0,
 /
-----

But I am not seeing any *.xsf formatted files... What am I missing here?

Best Regards,

Dan Gil
PhD Student
Case Western Reserve University
Department of Chemical and Biomolecular Engineering


<http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
Virus-free.
www.avg.com
<http://www.avg.com/email-signature?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
<#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180205/944238c5/attachment.html>


More information about the users mailing list