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<p>Dear Ming,</p>
<p>the projwfc will compute spin-up and spin-down Lowdin charges,
but only if you did include spin in your pw calculation, by
setting nspin=2.</p>
<p>kind reagrds</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 2020-12-11 06:34, Ming Lei wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAJ+c8pxA7Rh=GtvnmFTd+eB3xuS5JbsCsj61P2fFtjcUYiUqpg@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear Users,
<div><br>
</div>
<div>After running projwfc.x, at the end of the output file, it
shows</div>
<div><br>
</div>
<div>Lowdin Charges:<br>
<br>
Atom # 1: total charge = 13.5212, s, p, d, f =
2.6218 5.9990 4.9003<br>
Atom # 2: total charge = 13.5212, s, p, d, f =
2.6218 5.9990 4.9003<br>
Atom # 3: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Atom # 4: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Atom # 5: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Atom # 6: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Atom # 7: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Atom # 8: total charge = 7.0913, s, p, d, f =
1.9097 5.1816 0.0000<br>
Spilling Parameter: 0.0059<br>
<br>
</div>
<div>There is no information about the magnetic moment of each
atom. So how to calculate atomic magnetic moment in the
non-collinear spin-orbit calculations?</div>
<div><br>
</div>
<div>Any suggestion will be appreciated. Thank you.</div>
<div><br>
</div>
<div>Ming Lei</div>
<div>University of California, Riverside</div>
</div>
<br>
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