On Jul 19, 2010, at 20:29 , Elie Moujaes wrote: > I am trying to obtain the DOS (electronic) for a bilayer graphene > when a homogeneous electric field is applied but the scf convergence > is not being achieved
you should first make a calculation without electric field, then turn the electric field on, reading the initial wavefunctions and charge density from the previous case. See example 31 P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
