Initially it was 1e-8 but nscf calculation was crashing. So I searched for a solution and in ResearchGate I found that in order to solve this I need to decrease conv threshold or increase ecutwfc. That is why I increased it to such high values gradually. But didn’t have any luck.<br><br>On Thursday, May 14, 2020, Stefano de Gironcoli <<a href="mailto:degironc@sissa.it">degironc@sissa.it</a>> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p><tt>do you really need conv_thr=1e-20 ?</tt></p>
<p><tt>stefano</tt><br>
</p>
<div>On 14/05/20 09:18, Fariba Islam wrote:<br>
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<div dir="ltr">Dear all,
<div>My conv_thr=1e-20 and ecutwfc=200 ecutrho=800</div>
<div>My nscf calculation is crashing with the error </div>
<div><br>
</div>
<div>task # 10<br>
from c_bands : error # 1<br>
too many bands are not converged</div>
<div><font color="#222222"><br>
</font></div>
<div><font color="#222222">How can I solve? From suggestions
found online, I have reduced the threshold and increased
ecutwfc and ecutrho. </font></div>
<div><font color="#222222">Regards</font></div>
<div><font color="#222222">Fariba Islam</font></div>
<div><font color="#222222">Bangladesh University of Engineering
and Technology</font></div>
</div>
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