Re: CASPT2: non-symmetrized off-diagonal elements of the effective Hamiltonian

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Posted by Steven on August 09, 2010 at 10:54:39:

In Reply to: CASPT2: non-symmetrized off-diagonal elements of the effective Hamiltonian posted by Marcin Andrzejak on June 13, 2010 at 22:47:21:

Hi,

You should set the printlevel greater or equal to verbose.

grtz,
Steven

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if B is 1s22s22p1, what is Li?

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