[CPMD-list] cell viewer

[Łukasz Walewski]

Dnia 25-11-2007, nie o godzinie 23:36 +0000, Herbert Fruchtl napisał(a):
> 
> Is there a viewer that can show the final geometry of an optimization (not an MD
> run) including the cell dimensions? If not, does somebody have a script that
> converts CPMD output to a format that commonly used viewers can read?

You can also read one of the volume data generated by CPMD (eg. electron
density) and view it in VMD as cell only:

Graphics -> Representations, Drawing Method -> Isosurface, Show -> Box

Then with another representation (Create Rep) you can visualize your
system according to your needs.

Regards,
Lukasz


-- 
Łukasz Walewski <ljw at icm.edu.pl>
ICM UW