Author Topic: cosmo and dispersion keywords in Gaussian style input  (Read 5786 times)

jbaltrus

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cosmo and dispersion keywords in Gaussian style input
« on: June 05, 2009, 04:31:17 am »
Is there away to define cosmo and dispersion keywords in Gaussian style input. Wanted to give it a chance as this type of input I am mostly familiar with, but couldn't find any keywords for those two

Jonas

jbaltrus

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Re: cosmo and dispersion keywords in Gaussian style input
« Reply #1 on: June 06, 2009, 01:07:55 am »
yep, it's doable by adding

%add_control_commands
$disp
$cosmo
epsilon=24.3
ADD END
%end

Kudos to Uwe!