Antonio Carlos Borin
I want to use pure spherical d, f, and g functions in my calculations.
For that, I´ve included the keyword d5=.t. in $contrl, besides the command line
$d5 d5=.true. f7=.true g9=.true. $end
The input is attached.
It seems that I´m doing something wrong. The number of basis sets obtained is: A' = 295 A'' = 130; this is wrong, because it is the same I´ve got withoud the keywords mentioned above.
Could you, please, give a hint?
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[ adenine-cc-pVTZ-rhf-5d.inp ] input for spherical harmonics