Re: [SIESTA-L] TBtrans and broadening matrix

2022-07-01 Thread Nick Papior
Hi, As for details regarding the projected transmissions and other scalar quantities, you may find this useful: https://www.youtube.com/watch?v=ERGksOfikb8&list=PLwM2jMcWDGDAMkCAmGOi19Pe8rL0-CJtU&index=15 Also, the discussion related to the tutorial on projected transmissions is still present on

[SIESTA-L] Question about Gate in SIESTA

2022-07-01 Thread 肖威
Dear SIESTA developers and users, I recently read Papior et al. 's article on Phys. Chem. Chem. Phys. entitled "Manipulating the voltage drop in graphene nanojunctions using a gate potential (DOI: 10.1039/C5CP04613K)". I am very interested in the method of adding gate voltage to a system in thi