DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Ti When : 13 Oct 04 Vd 8 1 24.99221807 4.00000000 2 2.70553037 -23.29649301 2 16.79964052 -9.95073028 3 0.67641241 -0.93300360 3 12.51598339 100.90187587 4 7.28489732 -34657.05709422 4 7.26131638 34682.28659083 4 7.58185644 -255.42755756 Vs - Vd 8 2 1.44785058 524.79012798 2 4.35669718 -492.50898404 3 1.70006677 -542.35179903 3 3.88020396 810.38149342 3 7.87038901 -268.02969439 4 5.60547607 -5485.66880174 4 5.98526853 4693.84904088 4 3.32281685 -594.07505206 Vp - Vd 8 2 6.30581938 443.80565911 2 14.12585978 -412.62308205 3 0.60994918 -9.41081827 3 0.82820739 264.71667693 3 0.85049607 -255.30585866 4 6.17372163 -814.19438100 4 3.53848608 116.08290763 4 11.62110908 -2331.98599837