[Wien] AIM critical points

John Appleton banger_deep at yahoo.com
Sat Sep 2 17:53:51 CEST 2006


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
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