Subject: Analysing DMOL dos files in Cerius2

From: Stefan Bromley <[email-masked]>
Date: Thu, 16 Nov 2000 13:06:29 +0000 (WET)

Hi all,

For anyone having also having trouble with analysing *.dos files in
Cerius2 I have had been informed of the following solution:

The current vesion of the Cerius2 does not actually support
reading/analysing DOS files from DMOL3. To do so you have to look for
"Displaying DMol partial density of states" at:

http://www.msi.com/user/consortia/catalysis/Script/scipts.html

Here a program can be found "pdos" which converts *.dos files into *.grf
files which can then be read by Cerius2 in 'Tables and Graphs'.

Stefan

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