just a comments, maybe irrelevent with this thread.I searched the internet and found in "UYBHM" workshop, there is a utility program called "tspsi" can calculate eigenstates. I cannot find no more information about the "tspsi" program. If someone in this forum joined UYBHM workshop, please send me a copy of "tspsi" program. thanks!Yun-Peng
From: [email protected] To: [email protected] Date: Fri, 19 Oct 2012 22:31:38 -0400 Subject: [SIESTA-L] Transmission matrix in Bolch state representation Hi Transiesta developers and users, I want to obtain the transmission matrix in Bloch states representation. In this representation, transmission matrix is written in the form of T= t * t^\dagger. Here t is a matrix with elements presenting transmission form one Bloch state in left electrode to another Bloch state in right electrode. As I know, in NEGF, the transmission matrix is in atomic orbital representation and these atomic orbitals are those in the scattering region. I think there must be a transformation from the atomic orbital representation to the Bloch state representation. My question is, does anyone know how to do this transformation? Any idea and any reference is welcome. Thank you very much! best wishes,Yun-Peng
