[DFTB-Plus-User] DFTB parameter sets for hydrogenated graphene and fluorinated graphene

[JhonY. I.]

I'd like to obtain the reasonable electronic band structures of H-graphene and F-graphene using DFTB.
However, the results obtained from "halogen" mio parameter set showed too large band gap and the incorrect band structure shape compared to DFT results.
 
If you have good parameter sets for these systems, would you let me know what they are in dftb site or send your files to me?
 
Incidentally, is there a good tutorial file for the development of DFTB paramter sets for certain new system using DFT calculation?
 
Thanks for your help in advance.
 
Best regards,
 Young
 		 	   		  
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