[Wien] band structure with spin-orbital coupling

archieve mail yhzhao.mail at gmail.com
Wed Sep 8 12:20:52 CEST 2010


Dear Prof. Blaha,

I have encountered a problem while plotting the band structure with
spin-orbital coupling
with command "x spaghetti -p -so".

The error message is:
-------------------------------------------------------------------------------------------------------------------------------
 number of k-points read in case.vector=         401
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
libpthread.so.0    0000003E5DC0C4F0  Unknown               Unknown  Unknown
libc.so.6          0000003E5D572200  Unknown               Unknown  Unknown
spaghetti          00000000004A6E26  Unknown               Unknown  Unknown
spaghetti          000000000044CCE4  Unknown               Unknown  Unknown
spaghetti          00000000004156D2  MAIN__                    184  spag.f
spaghetti          0000000000402FDC  Unknown               Unknown  Unknown
libc.so.6          0000003E5D51C3FB  Unknown               Unknown  Unknown
spaghetti          0000000000402F0A  Unknown               Unknown  Unknown
0.639u 0.135s 0:00.80 95.0%    0+0k 0+0io 0pf+0w
error: command   /work/yhzhao/testwien2k10/spaghetti spaghetti.def   failed
--------------------------------------------------------------------------------------------------------------------------------

Additionally, there is only three lines in file 'case.outputsp' which says:
--------------------------------------------------------------------------------------------------------------------------------
### 2010-09-08  06:16:58

 parameter nevl increased:        2000
--------------------------------------------------------------------------------------------------------------------------------

I don't know what is the problem. Can you help me? Thank you very much.

Regards,

Yonghong
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