<html><head></head><body><div style="color:#000; background-color:#fff; font-family:標楷體, dfkai-sb;font-size:16px"><div id="yui_3_16_0_ym19_1_1501485742445_9738"><span id="yui_3_16_0_ym19_1_1501485742445_9739">Thank you Prof. Gavin Sir</span></div><div id="yui_3_16_0_ym19_1_1501485742445_9740"><br clear="none" id="yui_3_16_0_ym19_1_1501485742445_9741"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9742"><span id="yui_3_16_0_ym19_1_1501485742445_9743">I did not see any factorization error. or similar that I could fix with your inputs and my understanding.</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9744"><span id="yui_3_16_0_ym19_1_1501485742445_9745">I also tried to run various calculations with Ipfac from 5 to 100 but the error still persists. What I see changes are the error occurred at different temperature values in different Ipfac value.</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9746">It is an alloyed structure. For parent structure, I did not see any error up to 1E22 (1E18 to 1E22) doping level while in alloyed structure I faced Fermi error at 4E21 doping level.<br clear="none" id="yui_3_16_0_ym19_1_1501485742445_9747"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9748">The error message might be due to the alloying element. I do not have much knowledge about how much carrier concentration may be possible in a structure. So If we replace a lower Z element by a high Z element from the same group (7A), then there may be some limitation of doping levels. But I do not know about this domain. </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9749"><br clear="none" id="yui_3_16_0_ym19_1_1501485742445_9750"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9751"><span id="yui_3_16_0_ym19_1_1501485742445_9752">The exact error message is:</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9753"><span id="yui_3_16_0_ym19_1_1501485742445_9754"><br clear="none" id="yui_3_16_0_ym19_1_1501485742445_9755"></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9756"> ================ BoltzTraP vs 1.2.5 =============</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9757"> 6E21 </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9758"> XXXXXXXX</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9759"> 0.351378446329918 -0.234775561786487 5.000000000000000E-004 npoints</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9760"> 1173</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9761">Doping level number 1 n = 0.600E+22 carriers/cm3</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9762"> Doping corresponds to 1.64561901912858 excess holes per unit cell</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9763">Doping level number 2 n = -0.600E+22 carriers/cm3</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9764"> Doping corresponds to -1.64561901912858 excess electrons per unit cell</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9765"> Error - Fermi level was not found for doping 2 at temperature </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9766"> 400.000000000000 </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9767"> Error - Fermi level was not found for doping 2 at temperature </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9768"> 500.000000000000 </div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9769">72.2u 0.1s 1:13.58 98.4% 0+0k 0+33848io 0pf+0w</div><div dir="ltr" id="yui_3_16_0_ym19_1_1501485742445_9770"><br id="yui_3_16_0_ym19_1_1501485742445_9771"></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: 標楷體, dfkai-sb; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Sunday, 30 July 2017 10:41 PM, chin Sabsu <chinsabsu@yahoo.in> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv4336630888"><div><div style="color:#000;background-color:#fff;font-family:標楷體, dfkai-sb;font-size:16px;"><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694">Dear Users,</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694">After successful attempt of electronic, optical and magnetic properties, I tried to run Boltztrap calculation.</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">In an alloyed compound with different doping level concentrations, I encountered below error.</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694"><br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">"Error - Fermi level was not found for doping"<br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr"><br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">Please suggest me:</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">What does it mean and how to overcome this situation.</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr"><br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr"><br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">Thanks in advance and help will be highly appreciated.</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr"><br></div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">Thank you</div><div id="yiv4336630888yui_3_16_0_ym19_1_1501432762551_3694" dir="ltr">Chin</div></div></div></div><br><br></div> </div> </div> </div></div></body></html>