[Wien] AIM critical points

[Peter Blaha]

>   OPTION NOT RECOGNIZED       means probably that your case.inaim file
is not correct. 

> Dear WIEN users,
>   I used TEMP with broadening 0.0002 in case.in2 because I get 
>   warnings when using TETRA.
>   Is the electronic structure affected if one uses TETRA 
>   or TEMP ? I am trying to locate the Critical 
>   points using Bader's aim but I always get the message
>   OPTION NOT RECOGNIZED. Also "grep :PC case.outputaim" 
>   does not give me anything. I have tried all the options for CRIT  in 
>   case.inaim .i.e. TWO/THRE/FOUR/ALL. I also want to know 
>   if the choice of TEMP or TETRA  affects the charge density as well.
>    
>   Thanks
> 


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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