[CPMD-list] linear response calculation

[Ivaylo Ivanov]

Hello,
I'm trying to do vibrational analysis with the option LR (Linear
Response). The manual says that "A rule of thumb is that good results are
obtained with a 10 times stricter convergence on the ground state orbitals
compared to that of the response orbitals." What is not clear to me is how
to change the convergence criterion for the response orbitals from the
default value (1.0D-5). Any suggestions would be appreciated. Thanks very
much in advance.

--Ivaylo Ivanov

-- 
Ivaylo Ivanov
Center for Molecular Modeling | University of Pennsylvania
231 S.34 Street,              | Philadelphia,PA 19104-6323
tel: (215) 573 8697           | fax: (215) 573 6233
e-mail: iivanov at cmm.chem.upenn.edu