Load basis named key from the library
with angular symmetry type
(S, P, D, F, G, H, or I). This basis is added from all atoms with
number i=atom on the A cards (see above). If scale is
present, all exponents are scaled by scale**2. If nprim is
specified, the first nprim exponents only are taken from the library. If
nprim is negative, the last basis functions from the library
set
are deleted. Associated with the library basis may be a set of default contraction
coefficients which may be accessed in subsequent contraction cards. type
can include several types, e.g., SPD or DF. This usually makes sense
only with default contractions, i.e., such cards should be followed only by ``C'' without any other specifications for contractions.
b) type,atom,exp1,exp2,expn;expn+1,
;
General specification of exponents; continuation onto subsequent cards (separated by semicolon) is permitted as shown (the first card can hold up to 19 exponents (cray 13), each following card 20 exponents (cray 15).
c) type,atom,EVEN,nprim,ratio,centre
Generates an even tempered set of nprim functions. If centre is not given, the previous basis of the same type is extented by diffuse functions. If in this case ratio is not given, it is determined from the exponents of the last two function of the previous basis. If this is not possible, the default for ratio is 2.5.
d) type,atom,EVENR,nprim,aa,ap,bb,bp
Generates an even tempered set of nprim functions according to the
``regular'' prescription described in
M W Schmidt and K Ruedenberg, J. Chem. Phys. 71 (1970) 3951.
If any of the parameters
aa, ap, bb, bp
is zero or omitted, the values are taken from table III of the above.
P.J. Knowles and H.-J. Werner