MolSSI-BSE/basis_set_exchange

Inconsistant basis set for cc-pVTZ and cc-pVTZ-DK for Li, Na, Be, Mg

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In cc-pVTZ, For lithium, here are the D-type and F-type functions

* D-type functions
     2    2
               1.900000E-01
               7.250000E-02
      1.000000E+00           0.000000E+00
      0.000000E+00           1.000000E+00
* F-type functions
     1    1
               1.270000E-01
      1.0000000

In cc-pVTZ-DK, the corresponding part is,

* D-type functions
     2    2
               0.1874000
               0.0801000
      1.0000000              0.0000000
      0.0000000              1.0000000
* F-type functions
     1    1
               0.1829000
      1.0000000

They should be the same, since -DK should has the same exponent as the original one. They differ only on the coefficient.

Similar things happened in the aug-cc-pVxZ-DK basis set.

This is probably because the -DK basis set did not update the exponent in paper B. Prascher, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr., and A.K. Wilson, Theor. Chem. Acc. 128, 69 (2011)