[DFTB-Plus-User] NEGF+XTB
luca.sementa at pi.ipcf.cnr.it
luca.sementa at pi.ipcf.cnr.it
Wed Apr 13 19:34:05 CEST 2022
Dear Sebastian
I downloaded and installed the release taken from the web page (in .zip
format).
https://github.com/awvwgk/dftbplus/tree/xtb-transport
Unfortunately, when I feed the executable with the Au-Chain input
(modified for using the xtb hamiltonian) I still get the error given
from the main branch:
-> Eigensolver incompatible with transport calculation (GreensFunction
or TransportOnly required)
Is there a flag to add to the cmake command line?
Best Regards.
Luca
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