<div dir="ltr">Dear wien2k users,<div><br></div><div>          We are trying to do DFT simulation on a spinel ferrite (normal spinel) having Fe atom distributed over all the octahedral sites (16d). However, during initialization we have achieved the following error </div><div><br></div><div> forrtl: severe (24): end-of-file during read, unit 81, file /home/venkatesh/Shamik_New/case_V/case_V.rsp<div>Image              PC                Routine            Line        Source             </div><div>dstart             00000000004B463A  Unknown               Unknown  Unknown</div><div>dstart             00000000004B3136  Unknown               Unknown  Unknown</div><div>dstart             0000000000469E40  Unknown               Unknown  Unknown</div><div>dstart             000000000043679E  Unknown               Unknown  Unknown</div><div>dstart             0000000000435CDF  Unknown               Unknown  Unknown</div><div>dstart             00000000004482C1  Unknown               Unknown  Unknown</div><div>dstart             000000000040FD24  init_                     103  init.f</div><div>dstart             000000000040EA41  MAIN__                      9  dstart.f</div><div>dstart             00000000004032CC  Unknown               Unknown  Unknown</div><div>libc.so.6          0000003D66C1ECDD  Unknown               Unknown  Unknown</div><div>dstart             00000000004031C9  Unknown               Unknown  Unknown</div><div>0.002u 0.000s 0:00.00 0.0%<span class="" style="white-space:pre"> </span>0+0k 0+16io 0pf+0w</div><div>error: command   /usr/local/WIEN2K_12/dstart dstart.def   failed</div><div><br></div><div>what could be the problem?...is it related to wrong structural information?</div><div><br></div><div>Thanks in advance.</div><div><br></div><div>with regards,</div><div><br></div>-- <br><div class="gmail_signature">Shamik Chakrabarti<br>Senior Research Fellow<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>INDIA</div>
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