Dear Aleksandar, This is not surprising, the referenced article does use the minimal unit-cell for the fully periodic systems (3a and 3c). See the figure text "Minimal unit-cells in the transverse transmission direction have been used due to the periodicity.", it is also stated in the body text.
Hence your results are as expected and consistent with the article. Den tir. 12. feb. 2019 kl. 22.07 skrev Aleksandar Tomovic < atomo...@ipb.ac.rs>: > Dear all, > > my question is related to graphene transmission calculation using > transiesta (currently I'm using siesta 4.1b4). > > I tried to obtain transmission for graphene sheet using > geometry given in Figure 3a > (https://www.beilstein-journals.org/bjnano/articles/6/164) > using the same set parameters. However while i get the correct shape of the > curve, my > transmission value is n times higher, where n would be be number of zigzag > unit cells > contained in the given graphene sheet. > If I use single zigzag unit cell I am able to reproduce the correct result. > > My question would be, is there a problem with my siesta installation or is > there > a parameter that I am missing the would give correct value of transmission. > > If neither is the case, what is the implication of this when i want to > calculate transmission > of graphene gap with a molecule (when i need to use larger graphene sheet > like > the one from Figure 3a). > > Kind regards, > > Aleksandar > -- Kind regards Nick
