[CPMD-list] cell viewer

Armando Navarro Vázquez qoajnv at usc.es
Wed Nov 28 11:16:21 UTC 2007


Dear Herbert:
You can try my KryoMol program, It directly reads cpmd optimizations
and the development version can show the cell. It should work also with 
optimizing cell jobs.
I put a package in
http://galileo.usc.es/~armando/kryomol-devel-0.8.0.tar.gz

This is a KDE application so you need a box with the kde-devel package 
installed. Tell me if you have any problem or question
Wishes
Armando

> Dear all,
>
> 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?
>
> Thanks in advance,
>
>   Herbert



-- 
Dr. Armando Navarro-Vázquez
Departamento de Química Orgánica
Phone:34981563100 ext 16231
Universidade de Santiago de Compostela
http://galileo.usc.es/~armando


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