[Wien] LAPW and LMTO

[Leonardo Pisani]

Dear Wien Users,

I have a system mainly formed by a cation part (Fe 2+) and an anion part, the 
latter containing oxygen.
We made LAPW calculations for two slightly different structures of the same 
compound and obtained from the first one no oxygen at the fermi level while 
from the second  E_F  is just  defined by  the oxygen weight.

We also performed  LMTO calculations for the second structure and we found  
no oxygen at E_F .

Does anyone have an idea about this strange behavior?

Thanks in advance,
Best Regards,
Leonardo Pisani.