<html>
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
  </head>
  <body>
    As previously mentioned [1], a short literature survey showed that
    AFM type II and III are terms used for <i>fcc</i> and <i>bcc</i>
    lattices.  Since spacegroup 156 is not one of those, it might be
    inappropriate to use those terms for spacegroup 156 having a <i>primitive</i>
    lattice [2] of the hexagonal crystal family.  If you do a more
    extensive literature survey yourself and find a paper (article,
    book, etc.) that defines the AFM magnetic orders for spacegroup 156,
    then reference and use it for what the AFM order is.  If there is
    not any notations and terms for AFM magnetic orders for spacegroup
    156, you might have to make your own figure or write in your own
    words what the definition is should any AFM magnetic orders exist
    for it.<br>
    <p>Keep in mind that as mentioned before in the mailing list
      archive, the initial configuration can be set in case.inst with
      "instgen_lapw -ask" [3]. <br>
    </p>
    <p>Though, you need to check the final magnetic order that comes out
      of the scf [4], because the configuration set in case.inst with
      instgen_lapw is just the initial one that could change [5,6].<br>
      <br>
      It is also possible to try to force a magnetic order using
      dmatup/dn matrices but the final magnetic order is still what
      comes out of the scf and could be different [6-11].<br>
    </p>
    <p>Therefore, it likely not beneficial to name the AFM order before
      starting a calculation such that you would likely want to identify
      the name of the magnetic order after having finished the converged
      calculation.<br>
    </p>
    [1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19515.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19515.html</a><br>
    [2] <a class="moz-txt-link-freetext" href="https://en.wikipedia.org/wiki/Crystal_structure#Lattice_systems">https://en.wikipedia.org/wiki/Crystal_structure#Lattice_systems</a><br>
    [3]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10044.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10044.html</a>
    <br>
    [4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17516.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17516.html</a><br>
    [5]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03243.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03243.html</a><br>
    [6]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06739.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06739.html</a><br>
    [7]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14259.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14259.html</a><br>
    [8]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05054.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05054.html</a><br>
    [9]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13124.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13124.html</a><br>
    [10]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16281.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16281.html</a><br>
    [11]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16286.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16286.html</a><br>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix">On 1/26/2020 1:01 PM, djamel slamnia
      wrote:<br>
    </div>
    <blockquote type="cite"
      cite="mid:1532373334.29426188.1580068909046@mail.yahoo.com">
      <meta http-equiv="content-type" content="text/html; charset=UTF-8">
      <div class="ydp2039ebdbyahoo-style-wrap" style="font-family:
        Helvetica Neue, Helvetica, Arial, sans-serif; font-size: 13px;">
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b>thanks
              again sir </b></font></div>
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b><br>
            </b></font></div>
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b>i
              need to know what is the <span style="color: rgb(68, 73, 80); font-family: Helvetica, Arial, sans-serif; white-space: pre-wrap; background-color: rgb(241, 240, 240);">AFM orders for <span style="color: rgb(51, 51, 51); font-family: Arial, sans-serif;">P3m1 (156) ??? type II or III </span></span></b></font></div>
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b><span style="color: rgb(68, 73, 80); font-family: Helvetica, Arial, sans-serif; white-space: pre-wrap; background-color: rgb(241, 240, 240);"><span style="color: rgb(51, 51, 51); font-family: Arial, sans-serif;">
</span></span></b></font></div>
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b><span style="color: rgb(68, 73, 80); font-family: Helvetica, Arial, sans-serif; white-space: pre-wrap; background-color: rgb(241, 240, 240);"><span style="color: rgb(51, 51, 51); font-family: Arial, sans-serif;">
</span></span></b></font></div>
        <div dir="ltr" data-setdir="false" style=""><font size="3"><b><span style="color: rgb(68, 73, 80); font-family: Helvetica, Arial, sans-serif; white-space: pre-wrap; background-color: rgb(241, 240, 240);"><span style="color: rgb(51, 51, 51); font-family: Arial, sans-serif;">thanks in advance</span></span></b></font></div>
      </div>
    </blockquote>
    <blockquote type="cite"
      cite="mid:1532373334.29426188.1580068909046@mail.yahoo.com">
    </blockquote>
  </body>
</html>