[Wien] seclr4.f

[georg@chem.au.dk]

>   This time not only the jump on :DIS in the 4th iteration has not vanished,
> but also we have encountered ghost band problem:
>   **  testerror: Error in Parallel LAPW2
>   'l2main' - QTL-B.GT.15., Ghostbands, check scf files
>   'l2main' - QTL-B.GT.15., Ghostbands, check scf files

Probably you have some linear dependency in you basis set. Check the
scf2/output2 file. It usually tells you what state is problematic

Georg 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885
http://www.chem.au.dk/~webuorg/gm