[DFTB-Plus-User] Molecular orbitals under a bias

[Bálint Aradi]

On 05.03.2018 14:50, esi zamin wrote:
>  I want to compute Molecular Projected Self-Consistent Hamiltonian (MPSH)

No, sorry, unfortunately we did not implement that yet in DFTB+.

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: 801 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180307/c59c8ea1/attachment.sig>