Dear CGRocha, Thanks for the help, i'll try to do that right now.
Best wishes, Clerisson. Em 06-01-2012 11:11, Gomes Rocha escreveu:
Dear Nascimento, first of all, for the transport calculation, try to enhance a bit the electrode layer and check again the results. For the stress, I would recommend.... Create an initial guess for the ribbon with a slightly bigger carbon-carbon bond for all the atoms. Then relax the whole structure in siesta but fix the positions of the atoms located on the extremeties (along the uniaxial direction). And do this enhancement gradually... Then you would have an strained structure... best regards CGRocha
