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

From: Noppawan Tanpipat <[email-masked]>
Date: Thu, 16 Nov 2000 15:24:05 -0800

Dear All,

A minor addition to the email MSI's Klaus Stark sent below,  the program 
"pdos" which converts *.dos files into *.grf files which can then be read 
by Cerius2 in 'Tables and Graphs', can be obtained by contacting 
"[email-masked]".

Best wishes,

Noppawan Tanpipat
MSI

At 03:04 PM 11/16/00 -0600, Dr. Klaus Stark wrote:
>Dear All,
>
>please note that this is a web page for members of MSI's
>Catalysis2000 Consortium only. It is password protected and not
>generally accessible.
>
>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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>
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