<div dir="ltr"><div>Dear Neelesh, <br><br></div>I don't know about the error. But in scf input , I think you should have 36 36 1 0 0 0 k grid because silicene  has 2D structure. It will decrease k points in scf.out. Please correct me if I said anything wrong.  <br></div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Jan 11, 2018 at 5:50 PM, NEELESH GUPTA <span dir="ltr"><<a href="mailto:rse2017003@iiita.ac.in" target="_blank">rse2017003@iiita.ac.in</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div>Dear All ,<br> <br></div>I'm trying to perform a phonon calculation of silicne using using ph.x on QE v 6.0. <br><br></div>I running this simulation using parallelzation <br>mpirun -np 32 -hostfile machine ph.x -ndiag4  -nk 2 <<a href="http://ph.in" target="_blank">ph.in</a>> ph.out<br><br><br><br></div><div>Error generated...<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br>     Error in routine set_kplusq (23976):<br>     too many k points<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br></div><div><br>::::::::::::::::::::::::::::::<wbr>::::::::::::::::::::::::::::::<wbr>:<br><br>##I have done the scf calculation is done with k-points<br>  36  36  36  0 0 0<br><br>##  Detailed paramters<br>  ibrav=4,<br>  celldm(1)=7.3321373633d0, celldm(3)=12.8865979381d0,<br>  nat=2,<br>  ntyp=1,<br><br><br></div>## the ph code is....<br>Ph<br> &inputph <br>    prefix='calc'<br>    outdir='Xe',<br>    fildyn='calc.dyn',<br>    tr2_ph=1.0d-16,<br>    alpha_mix=0.7,<br>    verbosity='high',<br>    ldisp=.true.,<br>    epsil= .false.<br>    trans=.true,<br>    nq1=4,nq2=4,nq3=1,<br><br><br><br><pre style="color:rgb(0,0,0)"><font face="georgia, serif">I have tried with -nimage in mpi run  but it stops and in crash files it shows error of too many k-points. </font></pre><br><pre style="color:rgb(0,0,0)"><font face="georgia, serif"><i>Thanks in advance!</i></font></pre><br><br><br><div>Warm regards<span class="HOEnZb"><font color="#888888"><span class="m_-6063269165556833220gmail-HOEnZb m_-6063269165556833220gmail-adL"><font color="#888888"><br></font></span></font></span></div><span class="HOEnZb"><font color="#888888"><span class="m_-6063269165556833220gmail-HOEnZb m_-6063269165556833220gmail-adL"><font color="#888888"><div>Neelesh Gupta<br></div><div>Research Scholar,ECE<br></div></font></span><br><div><br><br><br><span class="m_-6063269165556833220gmail-m_9220389913294747214gmail-HOEnZb m_-6063269165556833220gmail-m_9220389913294747214gmail-adL"></span><div><br><br><br><br></div></div></font></span></div>
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