[Pw_forum] c_bands: eigenvalues not converged ina bilayer graphene calculations with an electric field

[Paolo Giannozzi]

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.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222