QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: njuxyh on April 22, 2014, 21:52

Title: two-probe system can deal with the situation in which a cluster as a electrode?
Post by: njuxyh on April 22, 2014, 21:52

hi,

i want to model the Ti-cluster-GNR-Ti-cluster as which in the reference http://pubs.acs.org/doi/abs/10.1021/nn401357p,see the geometry configuration.
and  i already know each electrode is a period system in ATK, but i do not know if a electrode is a cluster, atk can model the case?