[Wien] cohere energy

[yulihua-wh at sohu.com]

Thank you very much. I find it in case.outputst.


> 
> > The FAQ give a method for heavier elements, I have a system only with
> > C and B.
> > Whether we have a simple method to calculate the free atom energies?
> 
> Then you can use the free atom energies from case.outputst. 
> Nevertheless, the method for 'heavier' elements can always be used, 
> also for light ones.
> 
> Stefaan
> 
> 
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