[Wien] error in spaghetti -up -p

[Ricardo Faccio]

Are both  structures centrosymmetric?
Regards
Ricardo

--------------------------------------------
Dr. Ricardo Faccio
Prof. Adj. de Física

Av. Gral. Flores 2124. CC 1157. CP 11800.
Phone: + 598 2 924 9859
Fax: + 598 2 924 1906
Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
---------------------------------------------

El 03/04/2009, a las 06:07, arlonni <foursea at 163.com> escribió:

> Dear wien2kers,
> I have two cases (64 atoms), in which they have the same structure  
> except one element is different.
> 1)runsp_c_lapw -orb -p
> 2)x lapw1 -band -orb -up -p
> 3)x spaghetti -up -p
> the first one is OK,but the second  failed in step 3.
>
> number of k-points read in case.vector=          36
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line         
> Source
> libpthread.so.0    000000314560DE60  Unknown               Unknown   
> Unknown
> spaghetti          00000000004686A9  Unknown               Unknown   
> Unknown
>
> I have removed all *.irrep* and *.qtl*, but it didn't work.
> I have repeated my calculation several times, however, I got the  
> same error information. Can you give me some suggestion? I appreciate.
>
>
>
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