#
# $Id: Zr 19707 2010-10-29 17:59:36Z d3y133 $
#
Comment: Zr pseudopotential parameters
Comment: Fitted 12-28-04
Comment: by E.J. Bylaska, somewhat based on Khein and Allens' TM database
Comment: relativistic TM, quadratic semicore
Comment: This potential NEEDS TESTING!!!


[lmax] 2
[locp] 0
[rlocal] 1.0
<atom>
Zr
40.0 91.0 8 3
1  0      2.00
2  0      2.00
2  1      6.00
3  0      2.00
3  1      6.00
3  2     10.00
4  0      2.00
4  1      6.00
5  0      2.00
4  2      1.99
5  1      0.01
<end>
<solver>          pauli         <end>
<pseudopotential> troullier-martins    <end>
<rcut> 
   0   2.8182005
   1   3.3994115
   2   2.5183299
<end>

<semicore> 2.32   <end>
<semicore_type> quadratic <end>
