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<p>Hello <br>
</p>
<p>just a plain parameter from the boring manual, but it should
work</p>
<p> <a class="moz-txt-link-freetext" href="https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm735">https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm735</a><br>
</p>
<p>Pietro <br>
</p>
<div class="moz-cite-prefix">On 08/04/19 09:41, JAY Antoine wrote:<br>
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<blockquote type="cite" cite="mid:ecf-5caafb00-3f-244aec4@99267285">
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Dear all,<br>
After a first scf calculation and saving charge density and wave
functions,<br>
I launch the same scf with these wave functions and charge density
as an initialization (using startingpot and startingwfc).<br>
I go from 27 scf cycles in the first run to only 4 at in the
second run.<br>
However, I was expecting that after the 2 first scf cycles, the
energy difference is smaller than the conv_thr because it has
already been converged during the first run.<br>
I suppose that this phenomenon is due to the accuracy (number of
digits and number of points) used to saved the electronic density
and the wfcs.<br>
Is it possible to confirm my assumption and to change this
accuracy with a magic parameter?<br>
<br>
Best regards,<br>
<br>
Antoine Jay<br>
ISAE-SUPAERO<br>
Toulouse, France
<br>
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