[xcrysden] extracting information from wfc1 file

[Clark Lee]

pls write the density in xsf format and visualise in xcrysden
On Sat, Oct 31, 2009 at 1:00 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
>
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>


-- 
Yours sincerely,

Jibiao Li

State Key Lab of Corrosion and Protection (SKLCP)
Institute of Metal Research (IMR)
Chinese Academy of Sciences (CAS), China
Phone: 024-23971339
Email: jibiaoli at gmail.com
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