Hafnium Basis-Sets:

• Hf_ECP_Stevens_411d31G_munoz_2007

Hf_ECP_Stevens_411d31G_munoz_2007

272 5
INPUT
12. 1 3 3 2 0 0
    1.14090     -2.59020 -1
   18.98210      5.08602 -2
    4.32002    154.12616  0
    3.92413    -76.34646  0
    1.11008      3.80263 -2
    2.58171    159.39488  0
    2.38920   -133.12772  0
   21.00000      5.23486 -2
    2.80487     30.09851  0
0 1 4 8.0 1.0
    4.711    0.403273   0.013791
    3.331   -0.996540  -0.179991
    0.9844   0.979338   0.693601
    0.3587   0.445791   0.461877
0 1 1 0.0 1.0
    1.13          1.0        1.0
0 1 1 0.0 1.0
    0.215         1.0        1.0
0 3 3 0.0 1.0
     3.1991     -0.005062
     0.9007      0.427636
     0.3303      0.667943
0 3 1 0.0 1.0
    0.20     1.0
8 5
0 0 8 2.0 1.0
 8020.0       0.00108
 1338.0       0.00804
  255.4       0.05324
   69.22      0.1681
   23.90      0.3581
    9.264     0.3855
    3.851     0.1468
    1.212     0.0728
0 1 4 8.0 1.0
   49.43     -0.00883    0.00958
   10.47     -0.0915     0.0696
    3.235    -0.0402     0.2065
    1.217     0.379      0.347
0 1 1 0.0 1.0
    0.500     1.0        1.0
0 1 1 0.0 1.0
    0.21830   1.0        1.0
0 3 1 0.0 1.0
    0.50      1.0

D. Munoz-Ramo, J. L. Gavartin, and A. L. Shluger
``Spectroscopic properties of oxygen vacancies in monoclinic HfO2 
  calculated with periodic and embedded cluster density functional theory''
Phys. Rev. B75, Art. N. 205336, 2007