[DFTB-Plus-User] Phosphorus Parameter files

Christopher Rowan chriskrowan at gmail.com
Wed Jun 24 17:35:33 CEST 2009

If there aren't any slater-koster files for the element you're
interested in, you're out of luck.  You'll have to hopefully wait for
the developers to release it, or get on the development team!
Chris Rowan
University of Victoria

> Message: 1
> Date: Tue, 23 Jun 2009 12:40:38 -0400
> From: Mandelle Danser <mdanser at nd.edu>
> Subject: [DFTB-Plus-User] Phosphorus Parameter files
> To: dftb-plus-user at dftb-plus.info
> Message-ID:
>        <b450f6620906230940mf3ad74bk780548e2246e3bcb at mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
> I was trying to run DFTB codes on molecules containing Phosphorus.  None of
> the codes on the site seem to implement files for this element.  What is
> usually done for molecules using elements not accounted for in the codes?Thank
> you.
> -Mandelle Danser

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