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    <p>1. Another user had to calculate plasma frequency for a half
      metallic [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07695.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07695.html</a>
      ].  So it is likely that you need to do it to.<br>
    </p>
    <p>2. Yes, you must recompile the optic package after replacing
      joint.f because it is a Fortran source code file and not a script,
      .</p>
    <p>3. Sorry, I don't know.  <br>
    </p>
    <p>Instead of plotting the spin up/dn band structure next to the DOS</p>
    <p><a class="moz-txt-link-freetext" href="https://www.researchgate.net/figure/257076112_fig8_FIG-8-Total-DOS-and-Band-Structure-of-Co-2-TiSb-using-the-LSDAU">https://www.researchgate.net/figure/257076112_fig8_FIG-8-Total-DOS-and-Band-Structure-of-Co-2-TiSb-using-the-LSDAU</a></p>
    <p>it may be that you need to plot the fat band structure and PDOS
      (partial DOS) next to each other.</p>
    <p>I don't know of WIEN2k program or script to do that.  So you
      would likely have to plot it by hand in software like Origin [
      <a class="moz-txt-link-freetext" href="http://www.originlab.com/">http://www.originlab.com/</a> ].  Or if you're good a programming,
      maybe you could make a script similar to what someone had did for
      VASP:</p>
    <p><a class="moz-txt-link-freetext" href="http://gvallver.perso.univ-pau.fr/?p=587">http://gvallver.perso.univ-pau.fr/?p=587</a></p>
    <p>Spaghetti-primavera on the unsupported page [
      <a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/unsupported/">http://susi.theochem.tuwien.ac.at/reg_user/unsupported/</a> ] might be
      helpful for creating the fat band (or band-character) plot.</p>
    <p>COHP or COOP might also help with this:<br>
    </p>
    <p><a class="moz-txt-link-freetext" href="http://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=2">http://schmeling.ac.rwth-aachen.de/cohp/index.php?menuID=2</a><br>
    </p>
    <p>Unfortunately, that is not currently implement for WIEN2k:</p>
    <p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16542.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16542.html</a><br>
    </p>
    <p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16543.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16543.html</a><br>
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    <br>
    <div class="moz-cite-prefix">On 10/21/2017 3:06 PM, Dr. K. C. Bhamu
      wrote:<br>
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cite="mid:CAJYci+Qom+F1YMhX9sF5OViO8EnLnGfPJLs4FGvj34VAYtcJfA@mail.gmail.com">
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        <div>Thank you very much Gavin for more clarification.<br>
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        Now I have few more queries, please see :<br clear="all">
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                                For the -sp with -so, the spin orbit
                                couples the spin up and dn together.  So
                                it seems that you can only get a single
                                mixed metallic-semiconductor case as you
                                have mentioned above.<br>
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                            <div bgcolor="#FFFFFF">1. As the system is
                              halfmetal, should I follow the steps to be
                              done for metals (calculations of plasma
                              frequency)? I am not sure for this as we
                              are changing TETRA to 101.0.<br>
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                            <div bgcolor="#FFFFFF">2. Need to recompile
                              optic package? I am 100 % sure just for
                              confirmation.<br>
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                            <div bgcolor="#FFFFFF">3.  As mnetioned in
                              one of the thread of prof. Prof. peter
                              (and your above statment): <br>
                            </div>
                            <div bgcolor="#FFFFFF"><a
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00607.html"
                                moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00607.html</a><br>
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                            " X spaghetti -so -up   or   -dn gives the
                            "same" bandstructure, only the "fat-band"
                            representation will be different, since up
                            and dn-spin projections are different.  <br>
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                            <div bgcolor="#FFFFFF">So how we correlate
                              density of states with band structure  as
                              we are able to get DOS for -up and -dn ?</div>
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                            <div bgcolor="#FFFFFF">Kind regards</div>
                            <div bgcolor="#FFFFFF"><br>
                            </div>
                            <div bgcolor="#FFFFFF">Bhamu<br>
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