Dear all, The total KS energy of transiesta calculations in each biases, when we use version 4.1 and version 4-0 are different. Also the energy evolution vs bias voltage is not same. However the calculated current is same as each other.
Would please any one explain, the reason of the energy differences? I converged energy of each bias against convergence parameters in transiesta4-0 and use ts2ts command to create the input file for the new version. Thanks in advanced, Zara
