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    <div class="moz-cite-prefix">That's weird <br>
    </div>
    <div class="moz-cite-prefix"> I just checked the 6.5, the printout
      of atomic projected dos is there</div>
    <div class="moz-cite-prefix">have a look at matdyn.f90 <br>
    </div>
    <div class="moz-cite-prefix">at line 762 you should have <br>
    </div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix">IF (ionode) WRITE (2,
      '(2ES18.10,1000ES12.4)') E, SUM(DOSofE(1:nat)), DOSofE(1:nat)</div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix">On 8/4/20 12:12 AM, Baer, Bradly wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:DM6PR08MB6154AF4A79A522E17FAB7372CF4D0@DM6PR08MB6154.namprd08.prod.outlook.com">
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        Actually, I just found this message in the mailing list
        archive.  I must have missed it due to poor word choice while
        searching originally.  </div>
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        <a
href="https://lists.quantum-espresso.org/pipermail/users/2018-March/040476.html"
          moz-do-not-send="true">https://lists.quantum-espresso.org/pipermail/users/2018-March/040476.html</a><br>
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        font-size: 12pt; color: rgb(0, 0, 0);">
        It appears that this functionality was added in 2018, but I am
        unsure on how to check if this was something that was ever
        merged into the main distribution of QE(I am using 6.5) or if it
        is limited to the development branch or even only available
        through manual patching.  Is there some way for me to check or
        should I just attempt to apply the patch and see what happens?</div>
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        -Brad</div>
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              --------------------------------------------------------</div>
            <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
              font-size:12pt; color:rgb(0,0,0)">
              Bradly Baer</div>
            <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
              font-size:12pt; color:rgb(0,0,0)">
              <span
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                background-color:rgb(255,255,255);
                display:inline!important">Graduate Research Assistant,
                Walker Lab</span><br>
            </div>
            <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
              font-size:12pt; color:rgb(0,0,0)">
              <span
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                background-color:rgb(255,255,255);
                display:inline!important">Interdisciplinary Materials
                Science</span><br>
            </div>
            <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
              font-size:12pt; color:rgb(0,0,0)">
              Vanderbilt University</div>
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              font-size:12pt; color:rgb(0,0,0)">
              <br>
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      <div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
          face="Calibri, sans-serif" color="#000000"><b>From:</b> users
          <a class="moz-txt-link-rfc2396E" href="mailto:users-bounces@lists.quantum-espresso.org"><users-bounces@lists.quantum-espresso.org></a> on behalf of
          Baer, Bradly <a class="moz-txt-link-rfc2396E" href="mailto:bradly.b.baer@Vanderbilt.Edu"><bradly.b.baer@Vanderbilt.Edu></a><br>
          <b>Sent:</b> Monday, August 3, 2020 4:49 PM<br>
          <b>To:</b> Quantum ESPRESSO users Forum
          <a class="moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org"><users@lists.quantum-espresso.org></a><br>
          <b>Subject:</b> Re: [QE-users] Phonon Density of States by
          atomic type</font>
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          Professor Marzari, I had generally followed the process of
          pw.x -> ph.x -> q2r.x
          ->Matdyn.x(dos)/matdyn.x(dispersion) -> plot.  I am
          assuming that is what you mean by interpolating to build the
          DOS myself?  Would you have any recommendations on
          resources/references to extend that process into obtaining the
          contributions from each atomic type?</div>
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          font-size:12pt; color:rgb(0,0,0)">
          <br>
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          To Pietro: I just went back and looked through some output
          files and I was unable to find the information you were
          referring to.  My .dos file only has two columns.  Below is
          both the input and output from the dos matdyn.x calculation.
          Perhaps I am doing something wrong?</div>
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          font-size:12pt; color:rgb(0,0,0)">
          <br>
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        <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
          font-size:12pt; color:rgb(0,0,0)">
          <u>INPUT - GaNMatdyn.in</u></div>
        <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
          font-size:12pt; color:rgb(0,0,0)">
           &input
          <div>    asr='simple',</div>
          <div>    flfrc='GaN444.fc', dos=.true.</div>
          <div>    fldos='phonon.dos', nk1=50, nk2=50, nk3=50</div>
           /<br>
        </div>
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          font-size:12pt; color:rgb(0,0,0)">
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        <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
          font-size:12pt; color:rgb(0,0,0)">
          <u>OUTPUT</u></div>
        <div>
          <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
            font-size:12pt; color:rgb(0,0,0)">
             -1.6359E+02  0.0000E+00
            <div> -1.6259E+02  5.7394E-05</div>
            <div>.</div>
            <div>.</div>
            <div>.</div>
            <div>.</div>
            <div>  6.9341E+02  1.6180E-05</div>
              6.9441E+02  0.0000E+00<br>
          </div>
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            font-size:12pt; color:rgb(0,0,0)">
            <br>
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            <br>
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          <div style="font-family:Calibri,Arial,Helvetica,sans-serif;
            font-size:12pt; color:rgb(0,0,0)">
            -Brad</div>
          <div id="x_Signature">
            <div>
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                --------------------------------------------------------</div>
              <div
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                font-size:12pt; color:rgb(0,0,0)">
                Bradly Baer</div>
              <div
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                font-size:12pt; color:rgb(0,0,0)">
                <span
                  style="font-family:Calibri,Arial,Helvetica,sans-serif;
                  background-color:rgb(255,255,255);
                  display:inline!important">Graduate Research Assistant,
                  Walker Lab</span><br>
              </div>
              <div
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                font-size:12pt; color:rgb(0,0,0)">
                <span
                  style="font-family:Calibri,Arial,Helvetica,sans-serif;
                  background-color:rgb(255,255,255);
                  display:inline!important">Interdisciplinary Materials
                  Science</span><br>
              </div>
              <div
                style="font-family:Calibri,Arial,Helvetica,sans-serif;
                font-size:12pt; color:rgb(0,0,0)">
                Vanderbilt University</div>
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              </div>
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        <div id="x_divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
            face="Calibri, sans-serif" color="#000000"><b>From:</b>
            Nicola Marzari <a class="moz-txt-link-rfc2396E" href="mailto:nicola.marzari@epfl.ch"><nicola.marzari@epfl.ch></a><br>
            <b>Sent:</b> Monday, August 3, 2020 1:03 PM<br>
            <b>To:</b> Quantum ESPRESSO users Forum
            <a class="moz-txt-link-rfc2396E" href="mailto:users@lists.quantum-espresso.org"><users@lists.quantum-espresso.org></a>; Baer, Bradly
            <a class="moz-txt-link-rfc2396E" href="mailto:bradly.b.baer@Vanderbilt.Edu"><bradly.b.baer@Vanderbilt.Edu></a><br>
            <b>Subject:</b> Re: [QE-users] Phonon Density of States by
            atomic type</font>
          <div> </div>
        </div>
        <div class="x_BodyFragment"><font size="2"><span
              style="font-size:11pt">
              <div class="x_PlainText">On 03/08/2020 18:39, Baer, Bradly
                wrote:<br>
                > Hello,<br>
                > <br>
                > I was consulting the reference materials on
                materialsproject.org <br>
                > <<a
href="https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmaterialsproject.org%2Fmaterials%2Fmp-830%2F&data=02%7C01%7Cbradly.b.baer%40vanderbilt.edu%7C5798f6a329614e0a801508d837f72d90%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C1%7C637320882058656965&sdata=5plLSn7viRAfJTyl9dcsJ48je1tLiFZFWKWFbYLBvyA%3D&reserved=0"
originalsrc="https://materialsproject.org/materials/mp-830/"
shash="n1Wt7IATm07sCW0oVOuJZLFiSygHiKAy+bQ2UrOBVPNy/jMCkhp2Zyt+wPBsbaxmNwqM778NCQRhCcRfPd8W12c5O2sCE6bmVvqsX1z/0t7RMQRHO8x+wPcIw1nks2KJ9kIazGf+0vJKkYvz3YL8EeCrvqZlkhb/C22JHUe2Ws8="
                  moz-do-not-send="true">https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fmaterialsproject.org%2Fmaterials%2Fmp-830%2F&amp;data=02%7C01%7Cbradly.b.baer%40vanderbilt.edu%7C7bea9744135d4f07c63808d837d794f5%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C0%7C637320746344701373&amp;sdata=bv9GSN8yKAoo5CMizuZAgkP0yaGPSRyKxzr0bgKtawI%3D&amp;reserved=0</a>> for
                a semiconductor.  <br>
                > In the section on phonon results, they had the
                phonon density of states <br>
                > plotted with the contributions of each type of atom
                as well as the total <br>
                > DOS.    I have calculated the DOS of a system
                before using QE, but only <br>
                > did the total DOS of the system.  Does QE have the
                capability to give <br>
                > similar results?<br>
                > <br>
                > Thanks,<br>
                > Brad<br>
                <br>
                <br>
                Dear Brad,<br>
                <br>
                <br>
                for phonons I do not think there is any ready-made tool
                (but I could be <br>
                wrong). For phonon dispersions, we have implemented an
                online phonon <br>
                visulizer, based on the code by Henrique Miranda:<br>
                <a
href="https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.materialscloud.org%2Fwork%2Ftools%2Finteractivephonon&data=02%7C01%7Cbradly.b.baer%40vanderbilt.edu%7C5798f6a329614e0a801508d837f72d90%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C1%7C637320882058666947&sdata=vP7nuIIbYV70Q8LIya0BXvtHckz8ScflXUYaHcKAo0I%3D&reserved=0"
originalsrc="https://www.materialscloud.org/work/tools/interactivephonon"
shash="dk+9TIYauTgm8DAgfUaXhPahjFjIbMxWBc26pX77COOJiCOOBvY1VkyOvBLPACL3HZTC1PUYzgpmAIb6G1Yuyl3JAZikvclBwHg5F3OmeNUM9w/J40YvzuY29xjEfmz/gOpCYv6wc90469zH+B/MnGBA1X3a07mYaga1W0Ug65A="
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                that allows you to explore graphically/interactively
                phonon dispersions<br>
                <a
href="https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.materialscloud.org%2Fdiscover%2F2dstructures%2Fdetails%2FBN&data=02%7C01%7Cbradly.b.baer%40vanderbilt.edu%7C5798f6a329614e0a801508d837f72d90%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C1%7C637320882058671951&sdata=JMJKRseXjrS0XhHYOAw1Vt2ssaQiy8gafEorMSU%2FOqw%3D&reserved=0"
originalsrc="https://www.materialscloud.org/discover/2dstructures/details/BN"
shash="ZAtPWwwP+KFEol1kaRIYO2XfiY6Gut615aoZrXnwgUjjXlJyHrz+cBDajueZZwDnxR0BJZKV6CvSNuO1H3cTK91dfcjt2cupvnEHGysIPs83aDV02NwOIrY4gdHpQYnam2C/9rU6s9ZBFH2AHP4kW88MGLPMBzUca198gY19/AM="
                  moz-do-not-send="true">https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.materialscloud.org%2Fdiscover%2F2dstructures%2Fdetails%2FBN&amp;data=02%7C01%7Cbradly.b.baer%40vanderbilt.edu%7C7bea9744135d4f07c63808d837d794f5%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C0%7C637320746344701373&amp;sdata=Bgt18WK%2BonmwRVsgdpE3ciA6RnG6W7F9z8KoDxyEBAM%3D&amp;reserved=0</a><br>
                <br>
                For the phonon DOS, if you have done a calculation with
                QE, you can at <br>
                zero cost interpolate/diagonalize the dynamical matrices
                on fine q <br>
                meshes, and build the DOS yourself. But maybe others
                have some tool <br>
                ready to use.<br>
                <br>
                                        nicola<br>
                <br>
                <br>
                > <br>
                >
                --------------------------------------------------------<br>
                > Bradly Baer<br>
                > Graduate Research Assistant, Walker Lab<br>
                > Interdisciplinary Materials Science<br>
                > Vanderbilt University<br>
                > <br>
                > <br>
                > <br>
                > _______________________________________________<br>
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                -- <br>
----------------------------------------------------------------------<br>
                Prof Nicola Marzari, Chair of Theory and Simulation of
                Materials, EPFL<br>
                Director, National Centre for Competence in Research
                NCCR MARVEL, EPFL<br>
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      <pre class="moz-quote-pre" wrap="">_______________________________________________
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
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