<div dir="ltr"><div><div>Dear Prof. Peter Blaha<br><br></div><div>Thank you very much for your quick and kind response...<br></div>I did the optical properties calculations with inclusion of spin orbit interactions for HgI2 compound.....as you suggested i did x kgen -p,x lapw1 -p, x lapwso -p, x lapw2 -fermi -so -p.....up to this step calculation went on well.....while doing <br></div>x optic -so -p.....then i am getting he fallowing error....(for my previous compound also i got the same problem)....error is <br> <br clear="all"><div><div><div><div>running OPTIC in parallel mode<br>[1] 25081<br>[2] 25095<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>opticc             00000000004DE189  Unknown               Unknown  Unknown<br>opticc             00000000004DCB00  Unknown               Unknown  Unknown<br>opticc             0000000000490312  Unknown               Unknown  Unknown<br>opticc             000000000044E818  Unknown               Unknown  Unknown<br>opticc             000000000045295B  Unknown               Unknown  Unknown<br>libpthread.so.0    00002AAAAAFDBCB0  Unknown               Unknown  Unknown<br>opticc             000000000040886D  lomain_                    74  lomain_op_tmp.f<br>opticc             0000000000431654  mom_mat_                  503  sph-UP_tmp.f<br>opticc             000000000041C0F6  MAIN__                    453  opmain.f<br>opticc             0000000000403406  Unknown               Unknown  Unknown<br>libc.so.6          00002AAAAB40E76D  Unknown               Unknown  Unknown<br>opticc             00000000004032F9  Unknown               Unknown  Unknown<br>[3] 25109<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>opticc             00000000004DE189  Unknown               Unknown  Unknown<br>opticc             00000000004DCB00  Unknown               Unknown  Unknown<br>opticc             0000000000490312  Unknown               Unknown  Unknown<br>opticc             000000000044E818  Unknown               Unknown  Unknown<br>opticc             000000000045295B  Unknown               Unknown  Unknown<br>libpthread.so.0    00002AAAAAFDBCB0  Unknown               Unknown  Unknown<br>opticc             0000000000408889  lomain_                    74  lomain_op_tmp.f<br>opticc             0000000000431654  mom_mat_                  503  sph-UP_tmp.f<br>opticc             000000000041C0F6  MAIN__                    453  opmain.f<br>opticc             0000000000403406  Unknown               Unknown  Unknown<br>libc.so.6          00002AAAAB40E76D  Unknown               Unknown  Unknown<br>opticc             00000000004032F9  Unknown               Unknown  Unknown<br>[2]  - Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) &gt;&gt;  ...<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>opticc             00000000004DE189  Unknown               Unknown  Unknown<br>opticc             00000000004DCB00  Unknown               Unknown  Unknown<br>opticc             0000000000490312  Unknown               Unknown  Unknown<br>opticc             000000000044E818  Unknown               Unknown  Unknown<br>opticc             000000000045295B  Unknown               Unknown  Unknown<br>libpthread.so.0    00002AAAAAFDBCB0  Unknown               Unknown  Unknown<br>opticc             000000000040886D  lomain_                    74  lomain_op_tmp.f<br>opticc             0000000000431654  mom_mat_                  503  sph-UP_tmp.f<br>opticc             000000000041C0F6  MAIN__                    453  opmain.f<br>opticc             0000000000403406  Unknown               Unknown  Unknown<br>libc.so.6          00002AAAAB40E76D  Unknown               Unknown  Unknown<br>opticc             00000000004032F9  Unknown               Unknown  Unknown<br>[3]    Done                   ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f .lock_$lockfile[$p] ) &gt;&gt;  ...<br>**  OPTIC crashed!<br>4.7u 0.0s 0:03.22 151.2% 0+0k 3152+6968io 8pf+0w<br>error: command   /home/enrao/softwares/Wien2k/opticcpara -c -so optic.def   failed... how can i resolve it.....? <br></div><div>Thanking you in advance...<br></div><div>-- <br><div dir="ltr"><div><div><span><i><span style="color:rgb(0,0,255)">With Warm Regards</span><br><br></i></span></div><span><i><span style="color:rgb(153,0,255)"><b>Elaprolu.Narsimha Rao,</b></span><br></i></span></div><br></div>
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