[molpro-user] query regarding about cp-mcscf

Satyam Srivastava jayantsrivastava007 at gmail.com
Fri Oct 30 21:11:57 GMT 2015

Hi everyone,
I have problem in converging cp-mcscf gradiant and nacm(non-adiabatic
coupling coupling matrix) in SA-MCSCF.
I have notice that if cp-mcscf does'nt converge then we can loose it's
accuracy and then it converge, or we can check active space and no. of
It is not possible to ignore this type of problem.

Satyam Ravi
Research Scholar
Department of Chemical Sciences
Indian Institute of Science Education and Research Mohali
Punjab, India
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