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<p><tt>you are likely using kpoint parallelization (-nk $NK or
-npool $NK, with $NK > 1) with just 1 kpoint (11100) <br>
</tt></p>
<p><tt>stefano<br>
</tt></p>
<div class="moz-cite-prefix">On 01/05/20 15:33, Abdulla Bin Afif
wrote:<br>
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<p class="MsoNormal">Hi,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">When I do scf calculation on an
organometallic TMA (trimethylaluminium), I am getting some
error. The scf calculation is needed for vibration
calculations, which will be the next step.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">For molecules we consider Kpoints 11100,
with this its gives the below error and when the Kpoints are
changed to 33300 there is no error, I am not sure why it’s not
working with 111000.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I have a considered TMA as a molecule
inside a unit cell of 15A.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><span lang="FR">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="FR"> Error in routine
divide_et_impera (1):<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="FR"> </span>some nodes
have no k-points<o:p></o:p></p>
<p class="MsoNormal">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Thanks and Regards,<o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB"><o:p> </o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Abdulla Bin Afif</span><span
style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Ph.D. Candidate</span><span
style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717;background:white">Norwegian
University of Science and Technology (NTNU)</span><span
style="color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">MTP - Department of Mechanical and Industrial
Engineering</span><span
style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Richard Birkelandsvei 2b</span><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="NO-BOK"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">NO-7491 Trondheim. Norway</span><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="NO-BOK"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB"> </span><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="NO-BOK"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Email: <u><a
href="mailto:abdulla.binafif@ntnu.no"
moz-do-not-send="true"><span style="color:#171717">abdulla.binafif@ntnu.no</span></a></u></span><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="NO-BOK"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="EN-GB">Mobil: +47 41348358</span><span
style="font-family:"Arial",sans-serif;color:#171717"
lang="NO-BOK"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="NO-BOK"><o:p> </o:p></span></p>
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