[Pw_forum] Visuallization

Davide Ceresoli ceresoli at MIT.EDU
Sun Feb 28 03:15:16 CET 2010


On Sun, 28 Feb 2010, Lorenzo Paulatto wrote:

> Replying to message "Re: [Pw_forum] Visuallization" from  (27/02/10):
>>   The XYZ coordinate can be transfered to GaussView input file.
>
> Yet, I've never found any software that can match tha quality of xcrysden
> and display *non-simple-cubic* unit cells at the same time. In other
> words, if you units cell is simple cubic, you can find plenty of
> visualization softwares (gOpenMol and VMD are two possibilities), but if
> you want to visualize a proper crystal, than xcrysden is the only free
> (both gratuit and open-source) program I have ever found.
>
Closed-source but free, is VESTA:

     http://www.geocities.jp/kmo_mma/crystal/en/vesta.html

It can read and save Xcrysden files. Once I succedeed building
a crystal with VESTA, entering the space group and Wyckoff
positions! then I exported to XSF and XTL (fractional coordinates).

Cheers,
     Davide




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