[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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