Re: [SIESTA-L] How to calculate state-resolved transmission function

In Siesta 4.1 you can do projected transmissions, please see the tbtrans manual in section 4.6.2 (Projected transmissions). Den fre. 21. feb. 2020 kl. 22.07 skrev Jingxian Yu < jingxian...@adelaide.edu.au>: > Dear colleagues, > > I have computed transmission coefficients for the junction device,

Re: [SIESTA-L] Difference between TBT.DOS.Gf and TBT.DOS.A

Please see the tbtrans manual, just after TBT.DOS.A.All, there is a small discussion. Basically DOS.Gf = \sum_electrodes DOS.A + DOS.bound-states So if there are no bound states you have that the sum of spectral density of states equals the Green function density of states. Den fre. 21. feb.