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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 lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">Thanks and Regards,<o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717"><o:p> </o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">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 lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">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 lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">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 lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">Richard Birkelandsvei 2b</span><span lang="NO-BOK" style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">NO-7491 Trondheim. Norway</span><span lang="NO-BOK" style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717"> </span><span lang="NO-BOK" style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">Email: <u><a href="mailto:abdulla.binafif@ntnu.no"><span style="color:#171717">abdulla.binafif@ntnu.no</span></a></u></span><span lang="NO-BOK" style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span lang="EN-GB" style="font-family:"Arial",sans-serif;color:#171717">Mobil: +47 41348358</span><span lang="NO-BOK" style="font-family:"Arial",sans-serif;color:#171717"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="NO-BOK"><o:p> </o:p></span></p>
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