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<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Dear Wien2k Users,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">While performing the Optical Properties Calculation for Cu2ZnGeS4 bulk system I have received this error. The k-points calculated by mBJ calculations are 102. When I change
the value of 99999 which is the value of NKMAX in <b>Cu2ZnGeS4.inop </b>file to some higher number more than
<b>K points i.e say 150</b>, then this error is observed:<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Commandline: x optic -c<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Program input is: ""<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">emin,emax,nbvalmax -5.00000000000000 3.00000000000000 9999<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">creating ust<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">kmin,kmax -10 -10 -20 10 10<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif"> 20<o:p></o:p></span></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;background:yellow;mso-highlight:yellow">forrtl: severe (174): SIGSEGV, segmentation fault occurred<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;background:yellow;mso-highlight:yellow"><o:p> </o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;background:yellow;mso-highlight:yellow">Stack trace terminated abnormally.<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;background:yellow;mso-highlight:yellow">78.440u 1.673s 1:20.85 99.0% 0+0k 0+0io 0pf+0w<o:p></o:p></span></b></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif;background:yellow;mso-highlight:yellow">error: command /root/Wien2k_11.1/opticc optic.def failed</span></b><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p></o:p></span></b></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Please suggest the required modification.<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><b><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Warm Regards<o:p></o:p></span></b></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Dr. Amit Soni<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Associate Professor<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Department of Electrical & Electronics Engg.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Manipal University,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Times New Roman",serif">Jaipur<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
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