Gadolinium Basis-Sets:


Gd_ECP_Doll_2008

264 26
INPUT
36. 0 1 1 1 1 0
 24.602151 637.200869 0
 16.889250 261.689601 0
 13.643358 106.856533 0
 24.126917 -50.683590 0
0 0 5 2.0 1.0 
70672.982000        0.000135
10580.420000        0.001006
2467.219600        0.004605
710.305500        0.013577
223.693400        0.020915
0 0 1 2.0 1.0
42.884500 1.0
0 0 1 2.0 1.0
30.595200 1.0
0 0 1 0.0 1.0
15.792300 1.0
0 0 1 0.0 1.0
3.959800 1.0
0 0 1 0.0 1.0
2.007700 1.0
0 0 1 0.0 1.0
0.749400 1.0
0 0 1 0.0 1.0
0.324100 1.0
0 0 1 0.0 1.0
0.12     1.0
0 2 6 6.0 1.0
4319.887900        0.000058
1015.397000        0.000493
323.725800        0.002388
116.239400        0.007504
29.201800        0.081145
20.835300        -0.066154
0 2 1 6.0 1.0
14.856800 1.0
0 2 1 0.0 1.0
5.554100 1.0
0 2 1 0.0 1.0
2.791800 1.0
0 2 1 0.0 1.0
1.248200 1.0
0 2 1 0.0 1.0
0.584300 1.0
0 2 1 0.0 1.0
0.251200 1.0
0 2 1 0.0 1.0
0.12    1.0
0 3 6 10.0 1.0
406.099400        0.000655
122.420500        0.005341
46.367900        0.022180
20.728900        0.029630
7.977300        0.288270
4.117500        0.449678
0 3 1 8.0 1.0
2.078300        1.000000
0 3 1 0.0 1.0
0.988800        1.000000
0 3 1 0.0 1.0
0.338900        1.000000
0 3 1 0.0 1.0
0.12            1.000000
0 4 5 0.0 1.0 
128.705200        0.003970
46.564700        0.038735
20.888200        0.133958
9.523300        0.262835
4.347600        0.353911
0 4 1 0.0 1.0
1.924100        1.000000
0 4 1 0.0 1.0
0.792600        1.000000
0 4 1 0.0 1.0
0.285500        1.000000

used in:

K. Doll, 
Electronic structure of GdN, and the influence of exact exchange, 
J. Phys.: Condens. Matter 20, 075214 (2008)

See also:

Gadolinium