[DFTB-Plus-User] Localise

[James A Charles]

Hi Bálint,


Thanks a lot for the prompt response. Now it gets past that point.


-James

________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Bálint Aradi <aradi at uni-bremen.de>
Sent: Tuesday, May 29, 2018 12:08:59 PM
To: dftb-plus-user at mailman.zfn.uni-bremen.de
Subject: Re: [DFTB-Plus-User] Localise

Dear James,

> and got the error : Node contains superfluous free text: 'Yes'
>
>
> Are there any examples or do you have any idea what I am doing wrong?

That's a typo in the manual, sorry for that. The example should look like:

Analysis {
  Localise {
    PipekMezey {}
  }
}

as PipekMezey is not a boolean option but a block which can contain
further options.

I'll fix it in the manual on github.


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/
[http://www.bccms.uni-bremen.de/fileadmin/BCCMS/pics/DSC_0016.jpg]<http://www.bccms.uni-bremen.de/cms/people/b-aradi/>

BCCMS: B. Aradi - bccms.uni-bremen.de<http://www.bccms.uni-bremen.de/cms/people/b-aradi/>
www.bccms.uni-bremen.de
Investigation of point defects in bulk semiconductors. Multiscaling quantum mechanical modelling of semiconductor nanowires, combining ab inito and tight binding approaches.





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