[DFTB-Plus-User] Slater-koster parameters of Mo/S

Pu ZHANG puzhang0702 at gmail.com
Wed Feb 12 14:00:28 CET 2014


There's no way to generate them by oneself?

Best!
On Wed, Feb 12, 2014 at 12:00 PM, <dftb-plus-user-request at dftb-plus.info>wrote:

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>    1. Slater-koster parameters of Mo/S (n.salami at srbiau.ac.ir)
>    2. Re: Slater-koster parameters of Mo/S (B?lint Aradi)
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> ----------------------------------------------------------------------
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> Message: 1
> Date: Tue, 11 Feb 2014 17:08:50 +0330
> From: n.salami at srbiau.ac.ir
> To: Dftb-plus User <dftb-plus-user at dftb-plus.info>
> Subject: [DFTB-Plus-User] Slater-koster parameters of Mo/S
> Message-ID: <a1fa0bb79caef31b95c66fd62cb9e909 at srbiau.ac.ir>
> Content-Type: text/plain; charset=UTF-8; format=flowed
>
> Dear dftb users
>
> I need The Slater-Koster files for Mo and S. There isn't in www.dftb.org
> .
> How can I have them?
>
> Thanks in advance,
> Best Regards.
> Nadia Salami
>
>
>
> ------------------------------
>
> Message: 2
> Date: Tue, 11 Feb 2014 16:41:02 +0100
> From: B?lint Aradi <balint.aradi at bccms.uni-bremen.de>
> To: User list for DFTB+ related questions
>         <dftb-plus-user at dftb-plus.info>
> Subject: Re: [DFTB-Plus-User] Slater-koster parameters of Mo/S
> Message-ID: <52FA448E.4060209 at bccms.uni-bremen.de>
> Content-Type: text/plain; charset="utf-8"
>
> Dear Nadia,
>
> Contact those, who published a paper using them and ask them to give it
> to you, so that you can reproduce their results.
>
>   Best regards,
>
>     B?lint
>
> --
> Dr. B?lint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b_aradi/
>
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-- 
Pu Zhang

Postdoc

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