[DFTB-Plus-User] 4 nodes ignored in input file

[Bálint Aradi]

Dear Arun,

I guess, you geometry is non-periodic. The keywords which the parser 
complains about only make sense for periodic structures. Just comment 
them out.

Best regards,

Bálint


On 20.06.23 14:40, Arun Sharma wrote:
> Hello,
> I am trying to run MD using DFTB+ v 22.2, however, my input fails with 
> the following errors:
> WARNING!
> -> The following 4 node(s) have been ignored by the parser:
> (1)
> Path: dftbplusinput/Hamiltonian/DFTB/KPointsAndWeights
> Line: 37-42 (File: dftb_in.hsd)
> (2)
> Path: dftbplusinput/Hamiltonian/DFTB/Filling/Fermi/IndependentKFilling
> Line: 63-63 (File: dftb_in.hsd)
> (3)
> Path: dftbplusinput/Hamiltonian/DFTB/EwaldParameter
> Line: 86-86 (File: dftb_in.hsd)
> (4)
> Path: dftbplusinput/Hamiltonian/DFTB/EwaldTolerance
> Line: 87-87 (File: dftb_in.hsd)
> 
> ERROR!
> -> Code halting due to the presence of errors in dftb_in file.
> 
> However, there are no errors specified apart from the 4 mentioned above. 
> I wonder if someone could take a look at the input file and advise. I 
> sincerely appreciate your help.
> 
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-- 
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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