[Pw_forum] cp with metals

[carlo sbraccia]

Dear Nicola,

> In the recently developed version 3.0 of Espresso, the CP code
> can also do Born-Oppenheimer moelcular dynamics with variable
> occupations (we have a 1997 PRL on that).
> 
> It probably needs a few more weeks of testing to make sure
> everything is ironed out, but that would be the first choice to
> deal with system that are really metallic (the electronic thermostat
> helps only if the loss of adiabiticity is small).

what is the advantage of this approach with respect to the standard 
scf+smearing that is implemented in PWscf ?

carlo