[Pw_forum] Iron & Starting Magnetization

[Ben Palmer]

Hi Paolo, That's great news thank you.  I haven't heard from anyone 
about the notes yet, but I will send what I have across shortly.  I will 
see if I can get them to a reasonable state tonight/tomorrow.  All the 
best, Ben.
> On Feb 3, 2013, at 17:30 , Ben Palmer wrote:
>
>> 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
> yes, it's only the stress that in the case GGA + noncollinear
> magnetism is not (or not correctly) calculated.
>
> How are your notes on elastic constants going? Regards
>
> Paolo
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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