[Wien] about DOS with core charge leaking out

[Andrea Salguero]

Dear Wien2k community
I have a metalorganic structure that contains some small C-C bonds lengths and 
the maximum Rmt i can use for this C atoms is 0.83, it is not possible to 
increase it more, but this leads to a core charge leak out of around  
1.376857755274696E-002. Changing the Energy for separating core and valence 
states doesn't avoid this leaking. 

However the SCF runs with this leaking and doesn't give me any error message, 
actually is converging, i wonder whether i should stop it and try to add some 
LO as is suggested in the FAQ of wien2k or just leave it like is, but if i 
work with that results how much can i rely on them?

I will appreciate some comments or suggestions.
Best Regards
Andrea 

-- 
MSc. Andrea Salguero
Johann Wolfgang Goethe-Universität
Institut für Theoretische Physik
Max-von-Laue-Strasse 1
60438 Frankfurt/Main
Germany

Tel: +49-69-79847830