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Dear all,<br>
<br>
I am a little bit confused. I compared the "missing.diff" from Paolo
G. with the "espresso-5.0.2-5.0.3.diff" from the <a
href="http://qe-forge.org/">Home</a> » <a
href="http://qe-forge.org/gf/project/">Projects</a> » <a
href="http://qe-forge.org/gf/project/q-e/">Quantum ESPRESSO</a> »
<a href="http://qe-forge.org/gf/project/q-e/frs/?action=index">Files</a>
» <a
href="http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18">Complete
QE distribution</a> (5.0.3) from 2013-02-01 (that is still
available, but no new patch from May 6). I noticed that
"missing.diff" contains only changes that are all in
"espresso-5.0.2-5.0.3.diff", but "espresso-5.0.2-5.0.3.diff"
contained twice as much changes. To patch "missing.diff" after
"espresso-5.0.2-5.0.3.diff" is useless and to patch only
"missing.diff" will give the correct results?<br>
Thanks.<br>
<br>
Thomas Gruber<br>
<br>
On 05/07/2013 12:00 PM, <a class="moz-txt-link-abbreviated" href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a> wrote:
<blockquote cite="mid:mailman.13.1367920802.2504.pw_forum@pwscf.org"
type="cite">
<pre wrap=""><div class="moz-txt-sig">Date: Tue, 7 May 2013 16:30:12 +0800
From: Wei-Bing Zhang <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:weibingzhangavh@gmail.com"><weibingzhangavh@gmail.com></a>
Subject: Re: [Pw_forum] Correct patches for Quantum Espresso v5.0.2
To: PWSCF Forum <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:pw_forum@pwscf.org"><pw_forum@pwscf.org></a>
Cc: Brad Malone <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:brad.malone@gmail.com"><brad.malone@gmail.com></a>, pw_users <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:pw_users@pwscf.org"><pw_users@pwscf.org></a>
Message-ID:
<a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:CAL3gGW95DiJGKFCVQxtMaydyeuUzd7FBCbWZjXc5viP7u7gvcQ@mail.gmail.com"><CAL3gGW95DiJGKFCVQxtMaydyeuUzd7FBCbWZjXc5viP7u7gvcQ@mail.gmail.com></a>
Content-Type: text/plain; charset="utf-8"
Dear all
I just give a quick feedback about the latest patches for QE-5.0.3.
A few months ago, I posted a question about negative frequency of
silicene with high q-points above 6x6x1 (
<a moz-do-not-send="true" class="moz-txt-link-freetext" href="http://qe-forge.org/pipermail/pw_forum/2013-January/100945.html">http://qe-forge.org/pipermail/pw_forum/2013-January/100945.html</a> ) but
did not get an answer.
Today, I have recompiled the code with the latest patches for
QE-5.0.3. The new calculations give reasonable results with q-point
8x8x1 (i.e. the negative frequencies of silicene disappear in the high
q-points). The results obtained the QE-5.0.2 and the codes with the
latest patches are enclosed.
Thanks all for your effort
Wei-Bing Zhang
On 06/05/2013, Paolo Giannozzi <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:paolo.giannozzi@uniud.it"><paolo.giannozzi@uniud.it></a> wrote:
</div></pre>
<blockquote type="cite" style="color: #000000;">
<pre wrap=""><span class="moz-txt-citetags">> </span>The patch file for v.5.0.2 uploaded to qe-forge was
<span class="moz-txt-citetags">> </span>promising in the release notes a number of bug fixes
<span class="moz-txt-citetags">> </span>to the phonon code that were not actually present.
<span class="moz-txt-citetags">> </span>I have uploaded a new version of the patches under
<span class="moz-txt-citetags">> </span>release "5.0.3" to qe-forge. Attached here the missing
<span class="moz-txt-citetags">> </span>patches. Sorry for the inconvenience and thanks to the
<span class="moz-txt-citetags">> </span>people who noticed it
<span class="moz-txt-citetags">></span>
<span class="moz-txt-citetags">> </span>P.
<span class="moz-txt-citetags">> </span>--
<span class="moz-txt-citetags">> </span> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
<span class="moz-txt-citetags">> </span> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
<span class="moz-txt-citetags">> </span> Phone +39-0432-558216, fax +39-0432-558222</pre>
</blockquote>
</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
Thomas Gruber
Institut für Theoretische Physik
TU Bergakademie Freiberg
Leipziger Str. 23, 09599 Freiberg, Germany
Tel: +49 (0)3731 392006
Email: <a class="moz-txt-link-abbreviated" href="mailto:thomas.gruber@physik.tu-freiberg.de">thomas.gruber@physik.tu-freiberg.de</a></pre>
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