Dear siesta users, I am trying to calculate transport properties of a 10,0 nanotube. I relaxed the coordinates of the tube (atomic forces < 0.04 eV/Ang) and then electrode calculation and transiesta calculations were done. But after the transiesta run, the atomic forces on the system are shown to be ~96 eV/Ang. Is this correct? What role does geometry relaxation play in transport calculation?
Regards Akshu Pahuja
