[DFTB-Plus-User] How to determine the Error?

[Zhenyue Chang]

Dr. Bálint,

Yes, I didn't realize the warnings were actually errors and ignored them.
The code is running now!

Thanks a lot for your help.

Best regards

Zhenyue

On 7 November 2012 17:39, Bálint Aradi <balint.aradi at bccms.uni-bremen.de>wrote:

> On 11/07/2012 07:20 AM, Zhenyue Chang wrote:
> > Hello, I'm new to DFTB+ and I'm trying to test my code (the system is a
> > single layer of Graphene with 60 A of vacuum space) , however it stopped
> > due to ERROR in the code as following.
> >
> > WARNING!
> > -> The following 2 node(s) had been ignored by the parser:
> > (1)
> > Path: dftb_in/Driver/ConjugateGradient/FixLengths
> > Line: 23-23 (File: dftb_in.hsd)
> > (2)
> > Path: dftb_in/Hamiltonian/DFTB/MaxiSCCIterations
> > Line: 27-27 (File: dftb_in.hsd)
> >
> > *ERROR!*
> > *-> Code halting due to the presence of errors in dftb_in file.*
> >
> > My question is, what I can do to determine where I made mistake since
> > there is no information about which line has the error?
>
>   The error comes from the Warnings above (somewhat confusing, I agree).
> Per default, DFTB+ stops if it finds unparsed nodes, like
> MaxiSCCIterations in line 27 (which is misspelled). Remove the
> unnecessary nodes (or spell them correctly) and the code shoud run fine.
>
>   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/
>
>
>
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