[molpro-user] Human-readable wavefunction output?

Tatiana Korona tania at tiger.chem.uw.edu.pl
Thu Nov 29 23:51:50 GMT 2012


Hi,

For the case of CCSD: if you set print options cs,cp to something >1, then 
matrices of Ti and Tij coefficients (i.e. T1, T2 operators) will be printed, 
i.e.

gprint,cp=2,cs=2

hf
ccsd

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)



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