[Wien] Can't plot the bandstructure

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Wed Apr 13 14:38:08 CEST 2005


>   After a SCF of a SO calculation, I ran the command:
>  x lapw1 -band ,  x lapwso ,   x spaghetti -so
>  however, finally i cant get the plot of bandstructure.

This is exactly what you should do and should work.
However, maybe you have a old case.irrep* file ? then spaghetti will not 
work.
do an     ls -alsrt
This lists the files sorted by the date and you can see which files where 
produced after each step (and compare this with the content of the 
corresponding "program.def" file).


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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