[DFTB-Plus-User] problems with transport calculations

[Olga Sedelnikova]

Dear All,

I tried to calculate transport through graphene nanoribon using  "DFTB+
Tutorial on 2D Carbon Materials" by  B. Aradi, G. Penazzi and B. Hourahine (
https://www.dftbplus.org/fileadmin/DFTB-Plus/public/tutorials/cecamhp/dftb%2Btutorial-carbon2d.pdf).
Hovewer, after running of nscf dftb+ transopt calculation, the errors were:
WARNING!
-> The following 2 node(s) have been ignored by the parser:
(1)
Path: dftb_in/Transport
Line: 21-38 (File: dftb_in.hsd)
(2)
Path: dftb_in/Analysis/TunnelingAndDos
Line: 41-48 (File: dftb_in.hsd)

ERROR!
-> Code halting due to the presence of errors in dftb_in file.

It looks that I have some problem with the input files, but I cannot find
it.
Probably, NEGF block of DFTB+ code is absent? The program recompiling has
not helped.

I kindly ask you to help me with this problem.

Best regards,
Olga Sedelnikova
NIIC, Russia
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