[Wien] execute "x spaghetti -so" error occured

Mary White us.white at yahoo.com
Sat Jun 23 03:11:35 CEST 2007


Dear users,
     I encountered a problem about energy band with spin-orbit coupling. I have done the scf. Then selected the special k-point from xcrysden. After that compute energy and energyso with x lapw1 -c -band and x lapwso -c .The above process  is all right. But when I executed " x spaghetti -so" after having edited the file case.insp, that went to wrong. The printing on the screen is as follows,
  
   number of k-points read in case.vector=         161
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
libpthread.so.0    00002B3AE00CE140  Unknown               Unknown  Unknown
spaghetti          0000000000465222  Unknown               Unknown  Unknown
spaghetti          0000000000434880  Unknown               Unknown  Unknown
spaghetti          000000000041034D  Unknown               Unknown  Unknown
spaghetti          00000000004037AA  Unknown               Unknown  Unknown
libc.so.6          00002B3AE034A154  Unknown               Unknown  Unknown
spaghetti          00000000004036E9  Unknown               Unknown  Unknown
0.332u 0.092s 0:00.42 100.0%    0+0k 0+0io 0pf+0w
error: command   /home/wangyi/wien2k/spaghetti spaghetti.def   failed

If I executed " x spaghetti " without so, that is nothing wrong.
I don't know why this wrong occured.Any addvise will do me great help

Thank you in advancd.
                                                                                         Mary

       
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