On Oct 12, 2006, at 17:38 , H.S.Domingos wrote: > I would like to ask if using nscf is the same as using scf with > electron_maxstep = 1 > and startingpot = 'file from previous scf or vc-relax run' ? more or less, but the threshold used in the diagonalization is not the same in the two cases Paolo