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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