1#
2# $Id$
3#
4Comment: Ni pseudopotential parameters
5Comment: Fitted 12-28-04
6Comment: by E.J. Bylaska, somewhat based on Khein and Allens' TM database
7Comment: relativistic TM, quadratic semicore
8
9
10[lmax] 2
11[locp] 0
12[rlocal] 1.0
13<atom>
14Ni
1528.0 59.0 5 2
161  0      2.00
172  0      2.00
182  1      6.00
193  0      2.00
203  1      6.00
214  0      2.00
223  2      8.00
23<end>
24<solver>          pauli         <end>
25<pseudopotential> troullier-martins    <end>
26<rcut>
27   0   2.9454613
28   1   2.9454613
29   2   2.2939080
30<end>
31
32<semicore> 0.74   <end>
33<semicore_type> quadratic <end>
34