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<p>Hi everybody,</p>
<p>I did some tests on electron-phonon coupling with PAW PPs and QE
v6.7, using separate ph.x runs for the phonons and the elph with
trans=.false. and electron_phonon='simple'.<br>
The calculation seems to work in general and gives meaningful
values, but sometimes the elph calculation crashes while reading
the prefix.dvscf_paw* files.<br>
During the phonon calculation, the code creates the prefix.dvscf*
and prefix.dvscf_paw* files for some numbers in the range of 1 to
<number of CPUs>, but not for all of them, and so the elph
calculation crashes if it's trying to read a file that has not
been created.</p>
<p>My approach in this cases would be to copy the prefix.dvscf_paw1
file to prefix.dvscf_paw2...<number of CPUs>, because they
seem to be identical.</p>
<p>Has anyone else experienced this behaviour? Is my approach
correct?<br>
</p>
<p>According to the header in PHonon/PH/phonon.f90, PAWs are not
supported for electron-phonon calculations; is that true or is the
header not up to date?</p>
<p>Thanks and kind regards,<br>
Roman Lucrezi<br>
Institute of Theoretical and Computational Physics<br>
Graz University of Technology, Austria<span
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style="color:#000000;background-color:#ffffff;"></span><br>
<br>
<br>
</span></p>
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