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$DISBS group (optional)
This group defines auxiliary basis functions used to
evaluate the dispersion free energy by the method of
Amovilli and Mennucci. These functions are used only for
the dispersion calculation, and thus have nothing to do
with the normal basis given in $BASIS or $DATA. If the
input group is omitted, only the normal basis is used for
the IDP=1 dispersion energy.
NADD = the number of added shells
XYZE = an array giving the x,y,z coordinates (in bohr)
of the center, and exponent of the added shell,
for each of the NADD shells.
NKTYPE = an array giving the angular momenta of the shells
An example placing 2s,2p,2d,1f on one particular atom,
$DISBS NADD=7 NKTYP(1)= 0 0 1 1 2 2 3
XYZE(1)=2.9281086 0.0 .0001726 0.2
2.9281086 0.0 .0001726 0.05
2.9281086 0.0 .0001726 0.2
2.9281086 0.0 .0001726 0.05
2.9281086 0.0 .0001726 0.75
2.9281086 0.0 .0001726 0.2
2.9281086 0.0 .0001726 0.2 $END
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generated on 7/7/2017