[DFTB-Plus-User] CNT Gate Settings

[George D Kubas]

An 8,0 CNT in vacuum should be inherently n-type due to chirality , but maybe I need to virtually dope the system to impose this in the program? If so, please excuse my ignorance in this regards. The fermi energy for the SWCNT contacts is 3.84 roughly when calculated, but when the device file is run the fermi energy reads 0 in the detailed.out. This may be the reason for some of my errors. I am going to try the MPI version as well which I was just able to install.


George D. Kubas
Materials Science PhD. Candidate
Youngstown State University
gdkubas at student.ysu.edu
(330) 261-2967


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