Bartek, I can only think of the most trivial way: you set the calculation to Diagon and wait for a few SCF steps until the value of the Fermi energy is approximately converged. For OrderN you don't need an exact value for the Fermi Energy to start the process.
Cheers, Marcos 2010/11/1 Bartek Szyja <[email protected]> > Dear SIESTA users, > > Could anybody please explain me that statement from the tutorial: > > "An alternative is to obtain the approximate > value of the chemical potential using an initial diagonalization." > > What are exactly the steps necessary to achieve this? > > Cheers, > Bartek > > >
