Re: [SIESTA-L] an issue in tbtran-sisl calculation

2017-08-19 Por tôpico Zara Nosh
Dear Nick, I really appreciate your help :-D I have a small question about the bond_current. it also gives us Jb[i i]; I can't understand what it does mean. If the current flow comes from hoping and bonding, can we consider it as a hoping part? Also may I ask you which program you suggest to vi

Re: [SIESTA-L] an issue in tbtran-sisl calculation

2017-08-17 Por tôpico Nick Papior
Dear Zara, On 16 Aug 2017 22:01, "Zara Nosh" wrote: Dear Nick, Thank you so much for the clarification. I still have a couple of questions: 1- can I use the atomic current (atom_current function) as a measure of current density and trajectory pathway of the charge carriers in the system? No an

Re: [SIESTA-L] an issue in tbtran-sisl calculation

2017-08-16 Por tôpico Zara Nosh
Dear Nick, Thank you so much for the clarification. I still have a couple of questions: 1- can I use the atomic current (atom_current function) as a measure of current density and trajectory pathway of the charge carriers in the system? ​​2- I would like to plot the bond current and visualize it

Re: [SIESTA-L] an issue in tbtran-sisl calculation

2017-08-13 Por tôpico Nick Papior
They are (very!) rarely equal. The vector current is a vector sum of vectors with norms equal to their respective bond current. The atomic current is a sum of the norm of each of those vectors that add up to each of the atoms. I.e. this mathematical inequality holds: atomic current >= |vector cu

[SIESTA-L] an issue in tbtran-sisl calculation

2017-08-10 Por tôpico Zara Nosh
Dear transiesta users, I calculated atomic current and current direction of each atom, using the sisl utility and following commands: J_orb = av.orbital_current('Left', E=-0.8, isc=[None] * 3) J_a = av.atom_current_from_orbital(J_orb, activity=False) J_v = av.vector_current_from_orbital(J_orb)