Subject: Re: CCL:Analysing DMOL dos files in Cerius2

From: "Dr. Klaus Stark" <[email-masked]>
Date: Thu, 16 Nov 2000 15:04:49 -0600

Dear All,

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Best regards

Klaus Stark

At 01:06 PM 11/16/00 +0000, Stefan Bromley wrote:
>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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-- 
Dr. Klaus Stark
Application Scientist
Molecular Simulations Inc.
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