[DFTB-Plus-User] Please help me with questions in using own defined skf file

Bálint Aradi aradi at uni-bremen.de
Tue Oct 22 10:03:42 CEST 2019

> Starting initialization...
> --------------------------------------------------------------------------------
> -> Failure in short-range gamma cut-off : requested tolerance too large
> :   0.000000
> It is difficult for me to track this problem. Could anyone please help
> me with this?

My guess is, that your Hubbard-U values in the SK-files are wrong (maybe

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20191022/aab27fd6/attachment.sig>

More information about the DFTB-Plus-User mailing list