[Pw_forum] Correct patches for Quantum Espresso v5.0.2

[Thomas Gruber]

Dear all,

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 Home 
<http://qe-forge.org/> » Projects <http://qe-forge.org/gf/project/> » 
Quantum ESPRESSO <http://qe-forge.org/gf/project/q-e/> » Files 
<http://qe-forge.org/gf/project/q-e/frs/?action=index> » Complete QE 
distribution 
<http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18> 
(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?
Thanks.

Thomas Gruber

On 05/07/2013 12:00 PM, pw_forum-request at pwscf.org wrote:
> Date: Tue, 7 May 2013 16:30:12 +0800 From: Wei-Bing Zhang 
> <weibingzhangavh at gmail.com> Subject: Re: [Pw_forum] Correct patches 
> for Quantum Espresso v5.0.2 To: PWSCF Forum <pw_forum at pwscf.org> Cc: 
> Brad Malone <brad.malone at gmail.com>, pw_users <pw_users at pwscf.org> 
> Message-ID: 
> <CAL3gGW95DiJGKFCVQxtMaydyeuUzd7FBCbWZjXc5viP7u7gvcQ at mail.gmail.com> 
> 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 ( 
> http://qe-forge.org/pipermail/pw_forum/2013-January/100945.html ) 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 
> <paolo.giannozzi at uniud.it> wrote:
>> >  The patch file for v.5.0.2 uploaded to qe-forge was
>> >  promising in the release notes a number of bug fixes
>> >  to the phonon code that were not actually present.
>> >  I have uploaded a new version of the patches under
>> >  release "5.0.3" to qe-forge. Attached here the missing
>> >  patches. Sorry for the inconvenience and thanks to the
>> >  people who noticed it
>> >
>> >  P.
>> >  --
>> >    Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>> >    Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> >    Phone +39-0432-558216, fax +39-0432-558222


-- 
Thomas Gruber
Institut für Theoretische Physik
TU Bergakademie Freiberg
Leipziger Str. 23, 09599 Freiberg, Germany
Tel: +49 (0)3731 392006
Email: thomas.gruber at physik.tu-freiberg.de

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