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<div class="moz-cite-prefix">do you really need to print the
eigenvalues with 10^-7 eV accuracy ?<br>
stefano<br>
<br>
On 29/01/2016 14:08, Małgorzata Wawrzyniak-Adamczewska wrote:<br>
</div>
<blockquote cite="mid:82814164a17b2415630f8a179fd05eb1@amu.edu.pl"
type="cite">
<p>Dear QE users and developers,</p>
<p>I was wondering if there is a possibility to increase</p>
<p>the accuracy of the energies printed in the e.g. scf.out file
or bands.out file?</p>
<p>I find the accuracy of D^-4:</p>
<p>-------------------------------------------------------------------------------------------------------</p>
<p> k = 0.0000 0.0000 0.0000 ( 2289 PWs) bands (ev):<br>
<br>
-21.2789 -21.2789 -9.3618 -9.3618 -4.7450 -4.7450
-4.7357 -4.7357<br>
1.2876 1.2876 2.0573 2.0573 2.2604 2.2604
4.3273 4.3273<br>
4.9921 4.9921 6.6656 6.6656 6.6734 6.6734
8.2476 8.2476<br>
9.4082 9.4082 9.8358 9.8358 10.9914 10.9914
13.5952 13.5952<br>
<br>
</p>
<p>-----------------------------------------------------------------------------------------------------</p>
<p>and would like to increase it to D^-7.</p>
<p>Thank you in advance,</p>
<p>Malgorzata Wawrzyniak</p>
<p> </p>
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