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<p>I believe WIEN2k still cannot do non-collinear magnetism.</p>
<p>There is WIENncm [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/ncm/">http://susi.theochem.tuwien.ac.at/reg_user/ncm/</a> ]. 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.<br>
</p>
<div class="moz-cite-prefix">On 7/26/2018 3:37 AM, Sherif Yehia
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAL-AevmV+heQfYMTXA_U60OwnPoTO23URM0PqMV6p=pSndPbPw@mail.gmail.com">
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<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif"">Dear
User and expert</p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif""><span>
</span><span> </span>We would like to calculate
magnetic moment<span> </span>for ErFe2 <span> </span>compound
this system is Ferrimagnetic <span> </span>to the best of
our <span> </span>knowledge it can be handled<span> </span>by
<span> </span>partially inverted magnetic moments in the
Wien2k
<span> </span>calculations.<span> </span>For this system
we have found a reference to
a possible non-collinear magnetic structure in ErFe2
compound<span> </span><span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
0.0001pt;line-height:normal;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;font-family:"Times New
Roman","serif";color:black">Magnetic
and magnetocaloric properties of Er(Co1_xFex)2 intermetallic<span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
0.0001pt;line-height:normal;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;font-family:"Times New
Roman","serif";color:black">Compounds
I. Chaaba<span> </span>et al </span><span
style="font-size:12pt;font-family:"Times New
Roman","serif";color:rgb(0,128,174)"><span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><a
href="http://dx.doi.org/10.1016/j.jmmm.2017.05.033"
style="color:blue;text-decoration:underline"
moz-do-not-send="true"><span
style="font-size:12pt;line-height:115%;font-family:"Times
New Roman","serif"">http://dx.doi.org/10.1016/j.jmmm.2017.05.033</span></a><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif""><span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><a
href="http://refhub.elsevier.com/S0304-8853%2817%2930742-4/h0125"
style="color:blue;text-decoration:underline"
moz-do-not-send="true"><span
style="font-size:12pt;line-height:115%;font-family:"Times
New Roman","serif"">http://refhub.elsevier.com/S0304-8853(17)30742-4/h0125</span></a><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif""><span></span></span></p>
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width="30"><br>
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<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif"">The magnetic moment per
formula unit
is about 5.7 Bohr magnetons as reported by<span>
</span><span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
0.0001pt;line-height:normal;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;font-family:"Times New
Roman","serif"">Molecular-field
theory analysis of RFe, intermetallic compounds<span></span></span></p>
<p class="MsoNormal" style="line-height:normal;margin:0in 0in
10pt;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;font-family:"Times New
Roman","serif"">Y.J. Tang, et
al <span></span></span></p>
<p class="MsoNormal" style="line-height:normal;margin:0in 0in
10pt;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;font-family:"Times New
Roman","serif"">Journal of
Magnetism and Magnetic Materials 127 (1993) 378-382<span>
</span><span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif""><b>My question is:</b> is
there an option
in the Wien2k code to allow for handling such magnetic
structure?<span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif""><span> </span>Thank You in
advance <span></span></span></p>
<p class="MsoNormal" style="margin:0in 0in
10pt;line-height:115%;font-size:11pt;font-family:"Calibri","sans-serif""><span
style="font-size:12pt;line-height:115%;font-family:"Times New
Roman","serif"">Sherif<span> </span>Yehia</span></p>
</div>
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