[DFTB-Plus-User] Fe/H/C system

[Bálint Aradi]

Dear Debasis,

> I am trying to compute a system which has Fe, C, H. I am using the skf
> files in the trans3d. The code stop and apparently does not find the C-C
> .skf. I see there is no C-C, C-H and H-H skf files in this directory. 
> The documentation says trans3d "Requires" mio.  Does it mean that I have
> to take the missing skf files from mio?

 Yes, this is exactly what it means.

 Best regards,

   Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 262 bytes
Desc: OpenPGP digital signature
Url : http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20110512/db58bd5d/attachment.pgp