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<p><tt>not directly ... but the routine PW/src/s_1psi.f90 computes
S*psi for one wavefunction</tt></p>
<p><tt>then <psi|spsi> should be the quantity needed to
normalize the wavefunction psi<br>
</tt></p>
<p><tt>stefano</tt><br>
</p>
<div class="moz-cite-prefix">On 07/12/18 14:42, John McFarland
wrote:<br>
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Is there a subroutine in QE that normalizes the wavefunction? <br>
<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
face="Calibri, sans-serif" color="#000000"><b>From:</b> John
McFarland<br>
<b>Sent:</b> Friday, December 7, 2018 8:37:51 AM<br>
<b>To:</b> Quantum Espresso users Forum<br>
<b>Subject:</b> Re: [QE-users] Subroutine for renormalization</font>
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Sorry that's what I meant.<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 Paolo Giannozzi <a class="moz-txt-link-rfc2396E" href="mailto:p.giannozzi@gmail.com"><p.giannozzi@gmail.com></a><br>
<b>Sent:</b> Friday, December 7, 2018 5:00:12 AM<br>
<b>To:</b> Quantum Espresso users Forum<br>
<b>Subject:</b> Re: [QE-users] Subroutine for
renormalization</font>
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<div>What do you mean by "renormalize the wave function"?
"normalize"?</div>
<div><br>
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<div>Paolo<br>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr">On Thu, Dec 6, 2018 at 10:50 PM John
McFarland <<a href="mailto:jm18ec@my.fsu.edu"
moz-do-not-send="true">jm18ec@my.fsu.edu</a>>
wrote:<br>
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0.8ex; border-left:1px solid rgb(204,204,204);
padding-left:1ex">
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id="gmail-m_-8237300105833103639divtagdefaultwrapper"
dir="ltr" style="font-size:12pt; color:rgb(0,0,0);
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<p style="margin-top:0px; margin-bottom:0px">Dear
all,</p>
<p style="margin-top:0px; margin-bottom:0px"><br>
</p>
<p style="margin-top:0px; margin-bottom:0px">Is
there a subroutine in Quantum ESPRESSO that
renormalizes the wave function?</p>
<p style="margin-top:0px; margin-bottom:0px"><br>
</p>
<p style="margin-top:0px; margin-bottom:0px">Thanks,</p>
<p style="margin-top:0px; margin-bottom:0px"><br>
</p>
<p style="margin-top:0px; margin-bottom:0px">John
McFarland</p>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine,
Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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