<div dir="ltr"><div><div><div><div><div><div><div><div><div><div><div><div><div>Dear Wien2k users and developers,<br></div>                    I am trying to calculate the optical properties including spin orbit coupling for cubic perovskite compound. I have followed the procedure given in manual for the case of non spin polarized spin-orbit calculations<br>
<br></div>         run_lapw -so<br></div><div>         x kgen -so<br></div>         change TOT to FERMI in case.in2c<br></div>         run_lapw -so -s lapw1 -e lcore<br></div>         cp case.vsp case.vspup<br></div>         cp case.vsp case.vspdn<br>
</div>         cp case.vectorso case.vectorsoup<br>         cp case.vectorso case.vectorsodn<br></div>         x lapw2 -fermi -so -c<br></div>         cp case.weight case.weightup<br></div>         cp case.weight case.weightdn<br>
</div>         x optic -so -up<br> <br></div>        at this step it is showing the error <br><br>        forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>
opticc             00000000004087A6  lomain_                    74  lomain_op_tmp.f<br>opticc             0000000000431DED  mom_mat_                  503  sph-UP_tmp.f<br>opticc             000000000041D66B  MAIN__                    447  opmain.f<br>
opticc             000000000040361C  Unknown               Unknown  Unknown<br>libc.so.6          00002B6CE349476D  Unknown               Unknown  Unknown<br>opticc             0000000000403519  Unknown               Unknown  Unknown<br>
0.1u 0.0s 0:00.18 61.1% 0+0k 2776+120io 0pf+0w<br>error: command   ............./opticc upoptic.def   failed<br><br><br></div><div>Is this the correct procedure? anything more to do? how to remove this error?<br></div><div>
Please help me regarding this.<br><br><br><br></div><div>Thanking you<br></div><div><br><div><div><div><div><div><br><br></div></div></div></div></div></div></div>