[molpro-user] Confusion about DIATOMIC procedure

[Łukasz Miądowicz]

Hello Molpro Users!

I have some confusions about DIATOMIC procedure implemented in MOLPRO.

This procedure depends on number of potential points and is numerically
unstable.

Does anybody have some expierience in using this method and what should I do
to improve stability?


Best regards,

Lukas
-- 
Department of Theoretical Physics and Quantum Informatics
Faculty of Applied Physics and Mathematics
Gdansk University of Technology
ul. Gabriela Narutowicza 11/12
80-233 Gdansk, Poland
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