[CPMD-list] Visualization techniques w/ CPMD

Markus J Buehler m.buehler at mf.mpg.de
Fri Oct 11 16:05:46 CEST 2002


Hallo

Could someone give some details about visualization of the data I obtain
with CPMD? Are there any web links, or would someone like to share some
experience with me? Did someone use IBM Data Explorer? 

In particular, I am looking for a way to visualize the electron density
from my CPMD calculations. I have written a DENSITY file, but do not
know how to handle this file. The program "grid.x" does not exist; and I
do not know how to create it. How can I display the data contained in
the DENSITY file?
 
Thanks for your help, I appreciate it.
Markus

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Markus J. Buehler
Max Planck Institute for Metals Research
Heisenberg St 3, D-70569 Stuttgart, Germany.
email: m.buehler at mf.mpg.de
Homepage http://shasta.mpi-stuttgart.mpg.de
Phone ++49-711-689-3579
Fax ++49-711-689-3512
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