[Wien] Orientation of Atomic Spin Moments

[Stefaan Cottenier]

You can use the noncollinear wien version for that, but use and support 
is quite a bit different from the regular wien2k. See 
http://www.wien2k.at/reg_user/ncm/ .

Stefaan

> Dear Chiung-Yuan,
>
> not really. There are some antiferromagnetic features that allows you 
> to do a calculation from an educated guess, but there is no 
> possibility of determining the directions of the moments 
> "automagically", as far as I know. Read the AFM faq.
>
> Best regards,
> Torsten Andersen.
>
> Chiung-Yuan Lin wrote:
>
>> Dear All,
>>   I am calculating a system with 2 magnetic atoms in the unit cell.
>> I would like to see how the energies change with different relative
>> orientation between the spin moments of the 2 magnetic atoms.
>>  From what I know, for a system with only one magnetic atom a
>> SO calculation can choose the direction of magnetization, and that
>> tells the orientation of the atomic spin moment. But for 2 magnetic 
>> atoms
>> (or more), the direction of magnetization won't tell the the spin-moment
>> orientations of individual atoms (at least I don't know how).
>>   Can Wien2k figure out the relative orientation between the spin
>> moments of the magnetic atoms?
>>  
>> Thanks,
>> Chiung-Yuan
>>
>>
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>>
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>
>


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