In data 30 aprile 2009 alle ore 13:23:25, Manoj Srivastava <manoj at phys.ufl.edu> ha scritto: > I did this for several cases, I interchanged right and left leads, > increased number of atoms in the scattering region, chose scattering > region in different way, and everytime kz of left lead changes. Following > is my input file for the scattering region -
I'm no expert in transimission calculation, but I have had a look at your scf input file for the lead region, using XCrysDen, and I've noticed tha tlayers 4 and 5 are aligned in a strange way, reducing the system symmetry. Are you sure you have done it on purpose? Have you tried checking your input files with XCD? best regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
