[Octopus-users] CMSP

[David Strubbe]

Bob,

Take a look at the XCrySDen documentation on their website at
xcrysden.orgfor more info, but the short answer is: select "Data Grid"
in the menu.

David

On Sun, Apr 18, 2010 at 8:46 PM, Robertson Burgess <
Robertson.Burgess at newcastle.edu.au> wrote:

> Hi Everyone,
>
> Thanks for all your replies. I know that this is probably a simple
> question, but how do you plot the electron density using xcrysden. My
> computer already has xcrysden installed, and I've output the electron
> density in xcrysden format, so I have the file density-sp1.xsf. But when
> I open that file within xcrysden all I get is the atomic structure, and
> I can't figure out how to get it to plot any electron density data.
> Any help would be greatly appreciated,
>
> Bob
>
> >>> David Strubbe <dstrubbe at berkeley.edu> 17/04/2010 9:24 am >>>
> I never heard of VESTA before, thanks for letting us know, Myrta. The
> specification for XCrySDen format as given on its website is somewhat
> fuzzy,
> and I only tested Octopus output on XCrySDen itself when writing those
> routines, so it may be that VESTA implements the specification
> somewhat
> differently from XCrySDen.
>
> David
>
> 2010/4/16 Xavier Andrade <xavier at tddft.org>
>
> > Hi Myrta,
> >
> >
> > On Fri, 16 Apr 2010, Myrta Grüning wrote:
> >
> >  Note that for files in the xcrysden format it exists VESTA, that is
> faster
> >> and nicer than xcrysden and quite versatile (at least for me!)
> >> http://www.geocities.jp/kmo_mma/crystal/en/vesta.html
> >>
> >
> > Did you try it with octopus xcdrysden files? I tried it and it
> crashed when
> > opening the file (both in Linux and OS X).
> >
> > Cheers,
> >
> > Xavier
> > _______________________________________________
> > Octopus-users mailing list
> > Octopus-users at tddft.org
> > http://www.tddft.org/mailman/listinfo/octopus-users
> >
> >
>
>
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