[Octopus-users] CMSP

[Robertson Burgess]

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
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