[DFTB-Plus-User] MoS2 parameters

[SRKC Sharma Yamijala]

Dear Prof. Balint,

Thanks for your reply. I will write to them.

Thank you for your support,
Sincerely,
Sharma.








********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************

On Thu, Mar 12, 2015 at 7:09 PM, Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Sharma,
>
> > Below website suggests that there are parameters for MoS2 on the DFTB
> > website. Though I am registered user, I couldn't find any such
> > parameters there. Does any body know how to get these parameters.
>
> Unfortunately, that parameter set was not published by its authors on
> the DFTB.ORG website yet. You may contact the authors directly.
>
>   Best regards,
>
>     Bálint
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b_aradi/
>
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150312/a640997d/attachment.htm>