<div dir="ltr"><div dir="ltr"><div>Hello QE users!</div><div><div id="gmail-gt-src-c" class="gmail-g-unit"><div id="gmail-gt-src-p"><div id="gmail-gt-src-wrap" class="gmail-"><div id="gmail-gt-src-cc"><div id="gmail-gt-src-cc-ctr" class="gmail-cc-ctr gmail-gt-src-cc-normal"><br></div></div></div> </div>  </div> <div id="gmail-gt-res-c" class="gmail-g-unit"><div id="gmail-gt-res-p"><div id="gmail-gt-res-data"><div id="gmail-gt-res-wrap"><div id="gmail-gt-res-content"><div id="gmail-gt-res-dir-ctr" dir="ltr" class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-">I have been testing the convergence of energy in a Cu2O slab, I ran a lot of calculations with differents parameter, but, when I am doing the ecutwfc test, from 15 Ry to 200 Ry, i have a problem/error when the ecutwfc is 65 or 70. All others do not have any problem.</span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-">The error is:</span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-"><br></span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-"><br>     Estimated max dynamical RAM per process >     295.16MB<br><br>     Estimated total allocated dynamical RAM >    1180.62MB<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine ggen 1 (299008):<br>     too many g-vectors<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br></span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-"><br></span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-">I do not know why it is the error, neither how can i fix it, i read the forum, but always the answers are like as: "<span id="gmail-selection_url_f"></span> verify that you haven't given in<br>input weird parameters (cutoff, fft dimensions) for the G-vector<br>grid, or very strange cells".</span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-"><br></span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-">In my case, the input file and the geometry is the same for all calculations, i only change the value of ecutwfc. The calculations does not have any problem when ecutwfc is 60 or 75 Ry... I do not know what to do for fix it... Any suggestions?</span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-"><br></span></span></div><div class="gmail-trans-verified-button-small"><span id="gmail-result_box" class="gmail-" lang="en"><span class="gmail-">Regards<br> </span></span></div></div></div></div></div></div></div></div></div>