<div dir="ltr">input data? QE version?<br></div><br><div class="gmail_quote"><div dir="ltr">On Thu, Oct 11, 2018 at 4:55 PM Lucas Nicolás Lodeiro Moraga <<a href="mailto:lucas.lodeiro@ug.uchile.cl">lucas.lodeiro@ug.uchile.cl</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div>Hello QE users!</div><div><div id="m_-508660073710109648gmail-gt-src-c" class="m_-508660073710109648gmail-g-unit"><div id="m_-508660073710109648gmail-gt-src-p"><div id="m_-508660073710109648gmail-gt-src-wrap" class="m_-508660073710109648gmail-"><div id="m_-508660073710109648gmail-gt-src-cc"><div id="m_-508660073710109648gmail-gt-src-cc-ctr" class="m_-508660073710109648gmail-cc-ctr m_-508660073710109648gmail-gt-src-cc-normal"><br></div></div></div> </div>  </div> <div id="m_-508660073710109648gmail-gt-res-c" class="m_-508660073710109648gmail-g-unit"><div id="m_-508660073710109648gmail-gt-res-p"><div id="m_-508660073710109648gmail-gt-res-data"><div id="m_-508660073710109648gmail-gt-res-wrap"><div id="m_-508660073710109648gmail-gt-res-content"><div id="m_-508660073710109648gmail-gt-res-dir-ctr" dir="ltr" class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-">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="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-">The error is:</span></span></div><div class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-"><br></span></span></div><div class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-"><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="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-"><br></span></span></div><div class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-">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="m_-508660073710109648gmail-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="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-"><br></span></span></div><div class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-">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="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-"><br></span></span></div><div class="m_-508660073710109648gmail-trans-verified-button-small"><span id="m_-508660073710109648gmail-result_box" class="m_-508660073710109648gmail-" lang="en"><span class="m_-508660073710109648gmail-">Regards<br> </span></span></div></div></div></div></div></div></div></div></div>
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