[Wien] error in spaghetti -so , cannot find com.rel

[Chur Allen]

   With your instruction, now I get the right bandstructure by adding the 
command.
   Thank you very much!


> >   I did a claculation with spin-orbit coupling (SOC), and the result is 
>well
> > convergence. However, when I calculate the bandstructure,i used the 
>command :
> >   x lapw1 -band ,
> >   x spaghetti -so ,
>
>You did not run the lapwso program ! The sequence (for non-spinpolarized
>case) is:
>
>x lapw1 -band  (-c if you do not have inversion) : calculation without so
>x lapwso                 : uses case.vector from above and adds so
>x spaghetti -so          : -so tells to use case.outputso (instead of 
>case.output1)
>
>
> > then plot the bandstructure, it is strange and uncontinuous,devided into 
>so
> > many seperate parts and the symbols of high symmetry are missing.
> >  I ran " x irrep -so " " x spaghetti -so ", then ,it said " FORTRAN STOP 
>ERROR
> > in comprel: cannot find com.rel " .
> > Afterwards, whenever i used the spaghetti -so  command, the error 
>message
> > always took place.
> > If i do  x lapw1 -band ,x irrep -so , x spaghetti -so in a new 
>session,the
> > error message came again.
> > If i switch off the -so option,I can get the bandstructure ,but it is 
>not what
> > i want.
> > I tried to recompiler the spaghetti program,it is good and has no error.
> > Any suggestions? thank you very much.
> >
> >
> > Allen
> >
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>
>                                       P.Blaha
>--------------------------------------------------------------------------
>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>Email: blaha at theochem.tuwien.ac.at    WWW: 
>http://info.tuwien.ac.at/theochem/
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>
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