[Wien] Bandstructure and LDA +U, Strange Error in Spagetti

[Gerhard H Fecher]

Dear Wien devlopers and users,

I was running a LDA+U calculation, but was not able to create the 
bandstructure. I used to run lapw1 -band -up (-dn) -orb from the single prog.

spagetti stopped with the message:

number of k-points read in case.vector=         455
ERROR in comprel: cannot find com.rel
0.736u 0.559s 0:01.30 98.4%     0+0k 0+0io 0pf+0w

Similar error message occurs with older Versions, too.

This message seems to be a a little misleading suggesting a file was missing, 
as comprel does not need a file com.rel but did not find the ncm at the given  
ig12.

The problem seems to be that comprel doesn't find some symmetry element.

The values checked in comprel are:
comprel: cannot find com.rel for           13  to            7
                ig12 =     1013007  
                ncm=           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0           0           0

Indeed there is not such an ncm combination, if it makes sense at all.

The case.spaghettiup_ene and case.spaghettidn_ene files are created, however, 
inspecting them shows that the bandstructure does not match the DOS. (The 
latter shows a clear gap being absent in the bands)

Any idea what is going wrong

Ciao Gerhard