Dear siesta/Transiesta users, I am interested in transport calculations. My system consists of a molecule between two gold surfaces. The calculation for scattering region (electrodes plus molecule) ends normally. However, Qsol and Qtot looks like:
TranSiesta: Qsol,Qtot: 2634.554 2632.000 1.000 This difference is tolerable? Thanks in Advance. Leone
