[gpaw-users] Re: Convergence error

[Troels Kofoed Jacobsen]

> I tried to increase the electronic temperature, but
> calc = GPAW(mode='lcao',basis='dzp',h=0.2,nbands=-10,xc='RPBE',
> txt='Ag111_2.out', occupations=FermiDirac(0.1))
>
> gives back immediately
> NameError: name 'FermiDirac' is not defined


Hi Vincent

You have to import a function/class before being able to use it

from gpaw import FermiDirac

-- 
Med Venlig Hilsen

Troels Kofoed Jacobsen