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<div class="moz-cite-prefix">Hello <br>
For pw you have to look in PW/src/setup.f90 around line 330, just
set 1.3 instead of 1.2. <br>
Pietro<br>
<br>
On 03/11/2019 09:35 PM, Aleksandra Oranskaia wrote:<br>
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<div class="">Hello dear users and developers of QE,</div>
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</div>
<div class="">Could please someone advice which lines to change in
the source code for nbnd to add by default not 20%, but 30%
empty bands?</div>
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</div>
<div class="">I need it for using QE for the evolutionary
crystallography algorithm which depends on generating and
optimizing large set of structures (of different composition),
and particularly my systems are metallic or narrow band gap
semiconductors that for good convergence need ~ 30% empty
states.</div>
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<div class="">Thanks in advance,</div>
<br class="">
<div class="">
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<div style="color: rgb(0, 0, 0); font-family: Helvetica;
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-webkit-text-stroke-width: 0px;">Best,<br class="">
Alex.<br class="">
___<br class="">
Aleksandra Oranskaia (M.Sc.)<br class="">
ChemS PhD student, KAUST<br class="">
Phone: +966 50 1335254<br class="">
<br class="">
<br class="">
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