Dear (Tran)Siesta users, Could you indicate me please a more practical guide on how to setup realistic transport calculations with transiesta. I've read ch. 8 from Siesta User Guide, browsed the examples contained in the siesta(-3.2-pl-5) distribution, slides from the TAU workshop 2014, visited http://dipc.ehu.es/frederiksen/tstutorial/index.php/Exercises_TS_School_2009 (the last misses just "Starting up a 'real' problem of interest...'). but still have problem how to prepare the input files for realistic calculations: how to add a few metal atoms at the ends of the molecule to build an extended molecule (should it be done typing in the metal atom coordinates by hand?), how to prepare files for electrodes (other than typing in the coordinates e.g. of a,b,c for Au(111)). Is there a more practical guide, or full sets of input files to be downloaded for classical cases (e.g. Au-BDT-Au)?
Many thanks in advance, Ticu C.
