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<div class="moz-cite-prefix">Here is one way to do it. <br>
Keep the P1 symmetry (if really needed for the AFM collinear
magnetic order you need). <br>
Generate the file case.inst (input file of lstart created after
symmetry). <br>
Here I provide the beginning of this file. You can see the
electronic configuration of Fe1 and Fe2. <br>
Imagine that in your collinear magnetic phase Fe1 and Fe2 are
respectively up and down. <br>
Thus you must change the case.inst file in the following manner. <br>
<br>
Fe<br>
Ar 3<br>
3, 2,2.0 N <br>
3, 2,2.0 N<br>
<b>3,-3,2.5 N</b><b><br>
</b><b>3,-3,0.0 N</b><br>
4,-1,1.0 N<br>
4,-1,0.5 N<br>
Fe<br>
Ar 3<br>
3, 2,2.0 N<br>
3, 2,2.0 N<br>
<b>3,-3,0.0 N</b><b><br>
</b><b>3,-3,2.5 N</b><br>
4,-1,1.0 N<br>
4,-1,0.5 N<br>
<br>
For Ga atoms, if they are non-magnetic (or not far) the best is to
start with a non-magnetic atomic configuration as below:<br>
<br>
Ga<br>
Ar 4<br>
3, 2,2.0 N<br>
3, 2,2.0 N<br>
3,-3,3.0 N<br>
3,-3,3.0 N<br>
4,-1,1.0 N<br>
4,-1,1.0 N<br>
<b>4, 1,0.5 N</b><b><br>
</b><b>4, 1,0.5 N</b><br>
<br>
Then you must run "x lstart", and continue initialization "x
dstart -up / x dstart -dn" ... It will generate the proper
collinear magnetic order ... <br>
At this stage you don't need to use the option "run_afm" ... this
option is needed only if you cannot keep the magnetic order you
have previously defined. <br>
<br>
More details are available in the userguide and here: <br>
<br>
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/faq/afm.html">http://www.wien2k.at/reg_user/faq/afm.html</a><br>
<br>
<a class="moz-txt-link-abbreviated" href="http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/magnetism.pdf">www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/magnetism.pdf</a><br>
<br>
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Relativity-NCM.pdf">http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Relativity-NCM.pdf</a><br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
<br>
<br>
<br>
Le 1/19/2014 1:41 AM, Chinedu Ekuma a écrit :<br>
</div>
<blockquote
cite="mid:1390092095.51064.YahooMailNeo@web160502.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:12pt">Dear All,<br>
I am trying to construct a collinear AFM structure from the
attached file. Please, any help will be greatly appreciated.<br>
<div><span><br>
</span></div>
<div> Thanks.</div>
<div><font style="BACKGROUND-COLOR:rgb(128,255,192);"
color="#2d2d2d" face="times new roman, new york, times,
serif" size="4"><b>C. Ekuma</b></font></div>
<br>
<div> </div>
<div><font size="4"><font color="#00007f"> </font></font></div>
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