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<p>Dear Arash,</p>
<p>Thanks, I missed the point that "spinor_projections" was only in
the nnkpts file. Now it's all clear.</p>
<p>Best,</p>
<p>Dominik<br>
</p>
<br>
<div class="moz-cite-prefix">On 31.07.2017 18:35, Mostofi, Arash
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:276D4DF3-6C5F-4B6A-B5F2-7DB8D57634E5@ic.ac.uk">
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Dear Dominik,
<div class=""><br class="">
<div class="">If spinors=true in the .win file, then a
“spinor_projections" block is written to the nnkp file;
otherwise it’s a “projections” block. In both cases, the
projections are defined in the .win file within the
“projections” block (see Ch 3 of user guide). This was done to
preserve backward compatability when spinor projections were
added.</div>
<div class=""><br class="">
</div>
<div class="">Hope that helps!</div>
<div class=""><br class="">
</div>
<div class="">Arash</div>
<div class=""><br class="">
<div class="">
<div style="word-wrap: break-word; -webkit-nbsp-mode: space;
-webkit-line-break: after-white-space;" class="">
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font-size: 12px; font-style: normal; font-variant-caps:
normal; font-weight: normal; letter-spacing: normal;
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text-transform: none; white-space: normal; widows: auto;
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— <br class="">
Arash Mostofi — <a href="http://www.mostofigroup.org"
class="" moz-do-not-send="true">www.mostofigroup.org</a><br
class="">
Director, Thomas Young Centre @Imperial<br class="">
Imperial College London</div>
<br class="Apple-interchange-newline">
</div>
<br class="Apple-interchange-newline">
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<br class="">
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<blockquote type="cite" class="">
<div class="">On 23 Jul 2017, at 21:59, Dominik Gresch
<<a href="mailto:greschd@phys.ethz.ch" class=""
moz-do-not-send="true">greschd@phys.ethz.ch</a>>
wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class="">Dear Wannier90 community,<br class="">
<br class="">
I have a question regarding the use of the
"projections" and "spinor_projections" blocks:<br
class="">
<br class="">
In chapter 3.2 of the user guide, the "projections"
block is used to define spinor projections. However,
in 5.1.6, the same input is described as the
"spinor_projections" block.<br class="">
<br class="">
A quick search in the code revealed that in
parameters.F90, only "projections" is used, but not
"spinor_projections". On the other hand, kmesh.F90
writes the "spinor_projections" block, and the it
seems that pw2wannier90 reads it.<br class="">
<br class="">
So my question is this: What is the exact difference
in using "spinor_projections" or "projections"? Can
they be used interchangeably, or should it always be
"spinor_projections" when the spin part is set? If the
two are equivalent, what is the preferred method?<br
class="">
<br class="">
Best regards,<br class="">
<br class="">
Dominik Gresch<br class="">
<br class="">
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class="">
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</blockquote>
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