<div dir="ltr"><p class="MsoNormal" style="margin:0in 0in 0.0001pt;line-height:27pt;background:rgb(248,249,250);font-family:Calibri,"sans-serif""><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)"><font size="4">Dear WIEN2k users;</font></span></p>

<p class="MsoNormal" style="margin:0in 0in 0.0001pt;line-height:27pt;background:rgb(248,249,250);font-family:Calibri,"sans-serif""><font size="4"><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)">Would you please let me know why for an
antiferromagnetic system, as stated in “<a href="https://www.mailarchive.com/wien@zeus.theochem.tuwien.ac.at/msg11651.html">https://www.mailarchive.com/wien@zeus.theochem.tuwien.ac.at/msg11651.html</a>”,
we compare MMI00X with the experimental data? Although we know that MMINIT is always
zero for an antiferromagnetic system, but this does not mean that the
contribution of the magnetic moment of an atom in the interstitial region is
zero. Zero MMINT may be </span><span style="font-family:"inherit","serif";color:rgb(32,33,36)">due to</span><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)"> the cancellation of MMINIT of
an atom with up spin states and another atom with down spin states. Therefore,
an atom may have the non-zero MMINT in the interstitial region.</span><span style="font-family:"inherit","serif";color:rgb(32,33,36)"> In this case, </span><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)">MMINT should be summed with
the MMI00X and then compared with experimental data. </span><span class="gmail-y2iqfc"><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)">For example, MMTOT is always zero for anti</span></span><span class="gmail-y2iqfc"><span style="font-family:"inherit","serif";color:rgb(32,33,36)">ferromagnetic systems</span></span><span class="gmail-y2iqfc"><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)">, but this does not mean that the magnetic moment of an
atom is zero.</span></span></font></p><p class="MsoNormal" style="margin:0in 0in 0.0001pt;line-height:27pt;background:rgb(248,249,250);font-family:Calibri,"sans-serif""><font size="4"><span class="gmail-y2iqfc"><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)">Thank you very much;</span></span></font></p>

<p class="MsoNormal" style="margin:0in 0in 0.0001pt;line-height:27pt;background:rgb(248,249,250);font-family:Calibri,"sans-serif""><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)"><font size="4">Sincerely yours</font></span></p>

<p class="MsoNormal" style="margin:0in 0in 0.0001pt;line-height:27pt;background:rgb(248,249,250);font-family:Calibri,"sans-serif""><font size="4"><span lang="EN" style="font-family:"inherit","serif";color:rgb(32,33,36)"> </span><span style="font-family:"inherit","serif";color:rgb(32,33,36)"></span></font></p>

<p class="MsoNormal" style="margin:0in 0in 10pt;line-height:115%;font-family:Calibri,"sans-serif""><font size="4"> </font></p></div>