[DFTB-Plus-User] KPointsAndWeight

[n.salami at srbiau.ac.ir]

Dear all,
Good time,

I'm trying to calculate the transport properties of AGNR with Na=8.


I have built an xyz file of a model, as described below, to calculate 
the
transport properties of AGNR with Na=8 with 42.458 nm length (namely 100 
unitcells), where the electrodes are AGNR with Na=8.
- Should I get all 100 unitcells of AGNR with Na=8 as an extended 
molecule?
- How to determine KPointsAndWeights?

Could you advice me, Please?

Thanks in advance.
Bests Regards.