[DFTB-Plus-User] Simulating atoms in a box

[Bálint Aradi]

Dear Shahila,

you can use for example the gen format to specify supercells.

See Appendix C of the user manual for a detailed description of it.

  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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180806/1303254b/attachment.sig>