I want to study the charge transport through biomolecules such as DNA (with small base pair ) using TranSiesta. For that i have to incorporate the molecules in between the two electrode . So, can anyone please tell how do i do that ? Or you can suggest me any link of journal where they used this.
Thank you
Hossain
Vivekanand Shukla
I think you can just put molecule in between the electrode by using some editing software (vesta, ase, vnl etc) and let it be relaxed with good convergence. If you want to study the transport then it will be better to relax the scattering region and fix your leads.
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Vivekanand Shukla
You can follow publications from our group and say my hello to Arnab.
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