Re: [sdpd] program to simulate powder pattern

[Nandini Devi Radhamonyamma <nandu_gm...@yahoo.com>]

Thanks,
But I dont have atomic parameters, just cell parameters. Can powder cell simulate patterns then?
nandini




________________________________
From: Pradeep Rai <pradeepshivji...@gmail.com>
To: sdpd...@yahoogroups.com
Sent: Wednesday, April 22, 2009 11:25:02 AM
Subject: Re: [sdpd] program to simulate powder pattern





I think you can use Powder cell for this purpose.

On Wed, Apr 22, 2009 at 10:50 AM, Nandini Devi Radhamonyamma <
nandu_gm...@yahoo. com> wrote:

>
>
>
> Dear All,
>
> My question is regarding simulating powder patterns based on models.
> I have a MOF which could be indexed with cell parameters related to a
> reported compound. Roughly I could draw the structure in relation to the
> reported compound. I would like to validate this model by simulating a
> powder pattern and comparing with my compound. Is there any programme freely
> available where I can draw the structure, minimise and obtain the powder
> pattern?
>
> Thank you very much
> Nandini
> ------------ --------- --------- --------- -------
> R. Nandini Devi
> Catalysis Division
> National Chemical Laboratory
> Pune 411008
> India
> ------------ --------- --------- --------- ---------
>
> 
>

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