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