[DFTB-Plus-User] NEGF+XTB

[Benjamin Hourahine]

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
       2012/13 THE Awards UK University of the Year

    The University of Strathclyde is a charitable body,
         registered in Scotland, number SC015263
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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

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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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