[DFTB-Plus-User] NEGF+XTB

luca.sementa at pi.ipcf.cnr.it luca.sementa at pi.ipcf.cnr.it
Thu Apr 21 10:12:03 CEST 2022


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


More information about the DFTB-Plus-User mailing list