Hello everyone,
I was trying to calculate a two-probe device transmission spectrum, and it can be converged at low voltage, for example lower than 2V. But when the voltage increased more than 2V, it was difficult to be converged. The K point is (5,5,100) and history step is 20. Tolerance is 0.0001 Hartree. So could I make the result converfed at high voltage>2V. Thanks !