Dear SIESTA users, Recently I am testing some transport calculations with different electrodes, concerning different electrodes may have different chemical potential, possiblely we can expect current exists at zero bias, however, using the tbtrans utility, since the current is the integration of the transmission between -1/2V ~ 1/2V, if the bias is V=0, the current will always be zero. My questions are: 1. When different electrodes are used, is E=0 in the transmission spectra equals to the average of the fermi energy of the two electrodes? 2. Can we define some range to integrate the transmission spetra in order to obtain the current, for example, between the two fermi energies of the two electrodes?
Thanks & Best wishes! -- ================================================= Jun DAI Hefei National Laboratory for Physical Sciences at the Microscale University of Science & Technology of China Hefei, Anhui 230026, P.R.China Tel.: +86-551-3606428 =================================================
