Hi all, The option OccupationFunction MP can affect the scf cicle of transiesta? I have a convergence problem which value does not decrease below of the 0.0014 value. In the scf cicle of siesta, the convergence was reached, but the same not occurs for transiesta scf cicle(0.0014). There is any way(change of DM option values) to achieve the convergence in transiesta? I'm running a parallel calculation, this can affect the convergence in transiesta scf?
Regards Yoshi
