Numerical Hessian

Posted by Daniel Pelaez Ruiz on April 02, 2003 at 10:25:03:

Hello everyone,

I would like to know how to run a Numerical Hessian calculation with a dummy atom X1 that I have used to apply a Rydberg diffuse function.

Many thanks in advance.

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: Hello everyone, : I would like to know how to run a Numerical Hessian calculation with a dummy atom X1 that I have used to apply a Rydberg diffuse function. : Many thanks in advance.