<div dir="auto">Very likely reason: too much memory required<div dir="auto"><br></div><div dir="auto">Paolo</div></div><div class="gmail_extra"><br><div class="gmail_quote">Il 02/feb/2017 05:35 PM, "Hongsheng Liu" <<a href="mailto:lhs.happy2007@gmail.com">lhs.happy2007@gmail.com</a>> ha scritto:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div><div>Dear all,<br></div>  I'm trying to do a HSE scf
 calculation for bulk magnetite with PWSCF v.5.4.0. However, the 
calculation failed just after the convergence of scf with the error 
message as below,<br>    'convergence has been achieved in  14 iterations<br>APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)'<br><br>No
 energy information was printed in the output file. I tried both norm 
conserving and utrasoft pseudopotentials, but neither of them worked. My
 input is listed below,<br>  &CONTROL<br>  calculation    = "scf",<br>.............<br>/<br>&SYSTEM<br>  ibrav = 0 <br>  nat = 14,<br>  ntyp = 3,<br>  ecutwfc = 120, <br>  nspin = 2,<br>  starting_magnetization(1) = 0.0,<br>  starting_magnetization(2) = -0.25,<br>  starting_magnetization(3) = 0.25,<br>  occupations = 'smearing',<br>  smearing = 'gaussian',<br>  degauss = 0.0008,<br>  input_dft = 'hse'<br>/<br>&ELECTRONS<br>  mixing_beta = 0.3<br>/<br>................<br>K_POINTS automatic                     <wbr>               <br>8 8 8 0 0 0     <br></div>I appreciate any help!<br><br></div>Regards,<br></div>Hongsheng Liu<br></div><div>Department of Material Science<br></div>University of Milano-Bicocca</div>
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