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</o:shapelayout></xml><![endif]--></head><body lang="EN-US" link="#0563C1" vlink="#954F72"><div class="WordSection1"><p class="MsoNormal">Dear Users of Wien2K<o:p></o:p></p><p class="MsoNormal">I am trying to use BerryPI to calculate the polarization of the LuScFeO3 structure, considering spin polarization (AFM) and LDA+U, the lattice is hexagonal (P31m) with 14 atoms per unit cell (I already got convergence in energy and charge in scf). <o:p></o:p></p><p class="MsoNormal">My problem is the number of K-points when I do execute the following command: berrypi k4:4:2 –o –s –p (or 5:5:3). It always switch the number of k points to 10x10x10, and calculation takes many hours. I am using Wine2K<span style="color:#1F497D">_</span>19<span style="color:#1F497D">.1</span>, on AMD Ryzen 32 cores station. What mistake am I doing in executing the command and how can I force the K-points to be reduced to <span style="color:black">a less number</span>? <o:p></o:p></p><p class="MsoNormal"><o:p> </o:p></p><p class="MsoNormal">Best regards<o:p></o:p></p><p class="MsoNormal">Ali Baghi zadeh<o:p></o:p></p><p class="MsoNormal">Postdoc researcher<o:p></o:p></p><p class="MsoNormal">ScopeM, ETH, Zurich<o:p></o:p></p><p class="MsoNormal"><o:p> </o:p></p></div></body></html>