[xcrysden] extracting information from wfc1 file

dev sharma decboy9 at gmail.com
Sat Oct 31 15:58:23 CET 2009


hi mohnish
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.
take care
Dev
University of Delhi,
India

On Sat, Oct 31, 2009 at 5:30 PM, mohnish pandey <mohnish.iitk at gmail.com>wrote:

> Dear user,
>                 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.
>
> Thanks in advance,
> Sincerely,
> Mohnish
> --
> Mohnish Pandey
> Y6262,4th Year Undergraduate,
> Department of Chemical Engineering,
> IIT KANPUR
>
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
> http://www.democritos.it/mailman/listinfo/xcrysden
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20091031/52e3f0c2/attachment.htm 


More information about the XCrySDen mailing list