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Topic: Gaussian PES scan  (Read 2586 times)

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Offline SamuraiJack

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Gaussian PES scan
« on: July 09, 2013, 06:28:54 AM »
Dear All,

 I am currently using GAUSSIAN 09 to scan for Potential Energy Surfaces. Since
all the parameters in the z matrix are independent, I can scan one parameter
(e.g. angle or bond length) and freeze the others. I didn't find however a way
to scan two depended parameters. For example, Let's say the parameter B1 is
given by:

B1     1.1         S    10    0.01

now, I would like that parameter B2 will be B2=2*B1 at each step. (I don't want
to scan them independently)
Is it possible?

Thanks,
Tal.

Offline curiouscat

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Re: Gaussian PES scan
« Reply #1 on: July 09, 2013, 07:52:12 AM »
You'll probably do better on a dedicated Gaussian forum.

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