[Wien] core leakage

[Travis Sefzik]

hi,

i am running a calculation on a small organic systems and keep getting
core leakage messages after i run lstart.  for example, i will get:


TOTAL CORE-CHARGE: 2.
TOTAL CORE-CHARGE INSIDE SPHERE: 1.972.....
WARNING: 0.02731.... CORE electrons leak out of MT-sphere


from my understanding tot. core-ch. > tot. cor-ch. inside sphere.  why
am i getting this message?


thank you,
travis sefzik
tsefzik at chemistry.ohio-state.edu