Dear Transiesta users, I want to calculate the transmission coefficient of electron as a function of energy for some systems, I have set up them in same way. But when I do transiesta calculations for the scattering region of them, the following values for two systems of them appear.
Qsol,Qtot: 1803.764 1277.000 1.000 and Qsol,Qtot: 1798.801 1268.000 1.000 I know that whenever Qsol and Qtot are different, transiesta calculation doesn't converge. What are the reasons of the difference? How can I get rid of the problem? It will be highly appreciated your comments and suggestions. Thanks in advance. Best regards. Nadia Salami
