<html><body><div style="color:; background-color:; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span><font class="Apple-style-span" face="arial, helvetica, sans-serif" size="2"><div>I have an error in output file for scf calculation, </div><div><br></div><div><br></div><div> k( 24) = ( -0.4285714 0.4123930 0.0000000), wk = 0.0816327</div><div> k( 25) = ( -0.4285714 -0.0824786 0.0000000), wk = 0.0816327</div><div><br></div><div> G cutoff = 83.6540 ( 23611 G-vectors) FFT grid: ( 20, 20,160)</div><div> G cutoff = 57.9143 ( 13733 G-vectors) smooth grid: ( 15, 15,135)</div><div> rank 3 in job 24 mzmr-desktop_51851 caused
collective abort of all ranks</div><div> exit status of rank 3: killed by signal 11 </div><div><br></div><div><br></div><div>how can i fix this error?</div><div>I think it appear from wrong ‘k_point’ and ‘ecutwfc’.</div><div>The following is a k_point and ecutwfc:</div><div><br></div><div> ecutwfc =50 ,</div><div> ecutrho = 300 ,</div><div><br></div><div> K_POINTS {automatic}</div><div> 7 6 1 0 0 0</div><div><br></div><div>Can anyone help me?</div><div><br></div><div>Thanks in advance.</div></font></span></div><div style="font-family: arial, helvetica, sans-serif; font-size: 13px; "> </div><div style="font-family: arial, helvetica, sans-serif; font-size: 13px; ">Mahdi Faghih nasiri<br>MSC,<br>Guilan University,<br>Rasht,
Iran.</div></div></body></html>