[DFTB-Plus-User] NEGF+XTB

[Sebastian Ehlert]

Hi Ben,

that was an oversight on my side. Just pushed a commit to generate the
orbital information required for the transport analysis block.

All the best
Sebastian


On Thu, 2022-04-21 at 08:19 +0000, Benjamin Hourahine wrote:
> Hello Luca,
> 
> is this the main repository (which does not have this functionality
> yet) or the development branch from Sebastian?
> 
> Regards
> 
> Ben
> 
>        Dr. B. Hourahine, SUPA, Department of Physics,
>      University of Strathclyde, John Anderson Building,
>              107 Rottenrow, Glasgow G4 0NG, UK.
>      +44 141 548 2325, benjamin.hourahine at strath.ac.uk
> 
> 2013/4 THE Awards Entrepreneurial University of the Year
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> From: DFTB-Plus-User
> <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of
> luca.sementa at pi.ipcf.cnr.it <luca.sementa at pi.ipcf.cnr.it>
> Sent: 21 April 2022 09:12
> To: Dftb-plus User <dftb-plus-user at mailman.zfn.uni-bremen.de>
> Subject: [DFTB-Plus-User] NEGF+XTB 
> CAUTION: This email originated outside the University. Check before
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> 
> Dear Benjamin
> 
> I download and recompiled the xtb-transport branch. For graphene,
> even
> using the keyword "Solver = GreensFunction {" I get
> 
> ERROR!
> -> Orbital information from SK-files missing (xTB Hamiltonian not
> compatible with transport yet)
> 
> 
> Best Regards.
> Luca
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