Re: [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 






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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[Wien] non-collinear magnetic structure in ErFe2 compound

[Sherif Yehia]

Dear User and expert

   We would like to calculate magnetic moment  for ErFe2  compound this
system is Ferrimagnetic   to the best of our  knowledge it can be handled  by
 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. Chaaba  et al

http://dx.doi.org/10.1016/j.jmmm.2017.05.033

http://refhub.elsevier.com/S0304-8853(17)30742-4/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

Sherif  Yehia
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