[Pw_forum] Iron & Starting Magnetization

[Ben Palmer]

Hi Paolo will the scf energy still be calculated ok with a gga 
pseudopotential?  The message comes after the first scf:

      entering subroutine stress ...

      Message from routine stres:
      noncollinear stress + GGA not implemented

      BFGS Geometry Optimization

Thanks

Ben Palmer
Student @ University of Birmingham UK

> On Wed, 2013-01-09 at 10:41 +0000, Ben Palmer wrote:
>
>> How much extra work would be required?
> don't know
>
>> Would a new gga pseudopotential be needed
> no
>
> P.