<div dir="ltr">Dear Sir,<br><div><br></div><div>             The problem is solved. I have run everything in a fresh directory & it is running fine. Thanks for your help :)</div><div><br></div><div>with regards, </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, 9 Feb 2020 at 18:30, shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com">shamik15041981@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Sir,<br><div><br></div><div>             I have done V-optimization and c/a optimization of Li doped SnS2 prior to force minimization and both the calculation ran fine. However, with the structure with optimize lattice parameters when fed for force minimization, the error occurred during x kgen. </div><div><br></div><div>Surprisingly if I copy some structure from earlier simulation regarding V or c/a optimization in the same directory, the simulation fails to run. I have deleted the directory and ran everything fresh, but still the error occurs. The optimize lattice parameter for Li doped SnS2 was come as ; a=b=3.7918 A & c= 6.72964 A</div><div><br></div><div>Looking forward to your suggestions.</div><div><br></div><div>with regards,</div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, 9 Feb 2020 at 18:19, Laurence Marks <<a href="mailto:laurence.marks@gmail.com" target="_blank">laurence.marks@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="auto">Don't restart your computer for this!<div dir="auto"><br></div><div dir="auto">The message is clear, kgen failed probably due to incorrect input. However, kgen is not used during force minimization. What were you actually doing when this error occurred?<br><br><div dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Feb 9, 2020, 04:46 shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" target="_blank">shamik15041981@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear Wien2k users,<div>                               I have encountered an error during force minimization of Li doped SnS2. The error is following;</div><div> </div><div>                    Segmentation fault<br>0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w<br>error: command   /usr/local/Wien2k/kgen kgen.def   failed</div><div><br></div><div>I have searched in the mailing list and it is found that at one time the same error has been faced by an user and the problem was solved by restarting the PC. Is that the only solution or there are other options?</div><div><br></div><div>There are no error files created.</div><div><br></div><div>Any response is eagerly awaited.</div><div><br></div><div>with regards, </div><div><br><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div></div></div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>