[DFTB-Plus-User] DFTB-NEGF; SCC convergence with bias

[Michael Foster]

Hi,

I'm trying to calculate the current (I) as a function of applied bias (V)
for various molecules attached to metallic CNTs (currently working with
10,10); however, I'm having issues with SCC convergence. The system(s)
converge no problem without a applied bias; however, when I apply a bias
(e.g. 0.2 V for a ideal 10,10-CNT) the SCC will not converge. Attached is
my dftb_pin.hsd file for a ideal 10,10-CNT with 0.2 V bias

Thanks in advance for any help,
Mike
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