<div>Dear All,</div><div><br></div><div>I tried to calculate an insulator Ni3V2O3 using pbe norm conserving pp from pslibrary. But the energy related with ecutwfc is not converged. It reaches minimum at ecutwfc=80 Ry. But when I fix ecutrho=320 Ry and increase  ecutwfc, it starts to decrease monotonically. I am not sure if the system reaches the convergence at ecutwfc=80 Ry.</div>
<div>(smearing=mv, Degauss=0.01 Ry and kpoints = 4 4 3)</div><div><br></div><div>ecutrho=4*ecutwfc</div>ecutwfc     energy            total force<br clear="all"><div>30<span class="Apple-tab-span" style="white-space:pre"> </span>-1086.672528<span class="Apple-tab-span" style="white-space:pre">        </span>1.335253</div>
<div>40<span class="Apple-tab-span" style="white-space:pre">    </span>-1119.972723<span class="Apple-tab-span" style="white-space:pre">        </span>0.690327</div><div>50<span class="Apple-tab-span" style="white-space:pre">   </span>-1129.973333<span class="Apple-tab-span" style="white-space:pre">        </span>0.690484</div>
<div>60<span class="Apple-tab-span" style="white-space:pre">    </span>-1134.622157<span class="Apple-tab-span" style="white-space:pre">        </span>0.640747</div><div>70<span class="Apple-tab-span" style="white-space:pre">   </span>-1136.892534<span class="Apple-tab-span" style="white-space:pre">        </span>0.617201</div>
<div>80<span class="Apple-tab-span" style="white-space:pre">    </span>-1137.666471<span class="Apple-tab-span" style="white-space:pre">        </span>0.616635</div><div>90<span class="Apple-tab-span" style="white-space:pre">   </span>-1137.620919<span class="Apple-tab-span" style="white-space:pre">        </span>0.610216</div>
<div>100<span class="Apple-tab-span" style="white-space:pre">   </span>-1137.238099<span class="Apple-tab-span" style="white-space:pre">        </span>0.615361</div><div>110<span class="Apple-tab-span" style="white-space:pre">  </span>-1136.89911<span class="Apple-tab-span" style="white-space:pre"> </span>        0.62063</div>
<div>120<span class="Apple-tab-span" style="white-space:pre">   </span>-1136.866006<span class="Apple-tab-span" style="white-space:pre">        </span>0.622763</div><div><span class="Apple-tab-span" style="white-space:pre">             </span></div>
<div>Fixing ecutrho=360 Ry</div><div>80<span class="Apple-tab-span" style="white-space:pre">        </span>-1137.58272       <span class="Apple-tab-span" style="white-space:pre">  </span>0.62097</div><div>84<span class="Apple-tab-span" style="white-space:pre">    </span>-1137.73562<span class="Apple-tab-span" style="white-space:pre"> </span>       0.61824</div>
<div>88<span class="Apple-tab-span" style="white-space:pre">    </span>-1137.84215<span class="Apple-tab-span" style="white-space:pre"> </span>       0.61622</div><div>92<span class="Apple-tab-span" style="white-space:pre">     </span>-1137.91512<span class="Apple-tab-span" style="white-space:pre"> </span>       0.61511</div>
<div>96<span class="Apple-tab-span" style="white-space:pre">    </span>-1137.96457        0.61475</div><div>100<span class="Apple-tab-span" style="white-space:pre">        </span>-1137.99772<span class="Apple-tab-span" style="white-space:pre"> </span>       0.61473</div>
<div><br></div>-- <br>  Best Regards.<br>        Peng  <br>