[molpro-user] Prints a list of uncoupled pair energies

[Tatiana Korona]

Dear Haibo,

You can increase threshold for "UNREASONABLE NORM" (default 0.2) by 
setting variable CC_NORM_MAX,

e.g.
CC_NORM_MAX=0.5

Best wishes,

Tatiana

Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND

`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)

On Wed, 8 Jun 2005, haibo yi wrote:

> Dear molpro-user,
>       I want to print a list of uncoupled pair energies before MP2 calculation. I want to such information, because I the problem "‘UNREASONABLE NORM’ messages." when I do CCSD(T) calculation. I have try the keyword "pairen", but it seems does not work. Could anyone tell me how to do that? Thank you in advace.
>
>       With best wishes
>
>                 Yours,
>
>                 Haibo Yi
>
>
>
>