[Wien] non-collinear magnetic structure in ErFe2 compound

[Gavin Abo]

I believe WIEN2k still cannot do non-collinear magnetism.

There is WIENncm [ http://susi.theochem.tuwien.ac.at/reg_user/ncm/ ].  
However, you need to be somewhat of an expert (with theory and 
programming) to use it as I believe it still hasn't been maintained by 
anyone to keep it up-to-date in parallel with WIEN2k.  So, it probably 
has many of the same bugs that have been found in WIEN2k over the last 
several years.  It has only "limited" support as it says on the WIENncm 
web page.

On 7/26/2018 3:37 AM, Sherif Yehia wrote:
>
> Dear User and expert
>
> We would like to calculate magnetic momentfor ErFe2 compound this 
> system is Ferrimagnetic to the best of our knowledge it can be 
> handledby partially inverted magnetic moments in the Wien2k 
> calculations.For this system we have found a reference to a possible 
> non-collinear magnetic structure in ErFe2 compound
>
> Magnetic and magnetocaloric properties of Er(Co1_xFex)2 intermetallic
>
> Compounds I. Chaabaet al
>
> http://dx.doi.org/10.1016/j.jmmm.2017.05.033
>
> http://refhub.elsevier.com/S0304-8853(17)30742-4/h0125 
> <http://refhub.elsevier.com/S0304-8853%2817%2930742-4/h0125>
>
>
> 	
>
> The magnetic moment per formula unit is about 5.7 Bohr magnetons as 
> reported by
>
> Molecular-field theory analysis of RFe, intermetallic compounds
>
> Y.J. Tang, et al
>
> Journal of Magnetism and Magnetic Materials 127 (1993) 378-382
>
> *My question is:* is there an option in the Wien2k code to allow for 
> handling such magnetic structure?
>
> Thank You   in advance
>
> SherifYehia
>
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