[Wien] Aim problem

Mireille LONTSI FOMENA fomena at icmcb-bordeaux.cnrs.fr
Mon Feb 11 11:01:35 CET 2008


 

Hello WIEN-users,

 

 

I want to calculate charge for a pseudo-atom and for a diffusing atom in a
perovskite structure with aim program. 

But, when I launch aim calculation, I have the following error message: 

 

"STOP More than maxfoll steps, sorry: please report this

STOP"

 

Can somebody could help me?

 

Thanks in advance.

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