DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Ba When : 13 Oct 04 Vd 8 1 1.12669856 2.00000000 2 0.85530388 -250.98792190 2 0.65463226 248.72014434 3 0.53334576 3.33447589 3 0.32899600 -1.08107878 4 0.75226528 -56.83726155 4 1.09331162 305.49070755 4 1.09860181 -300.50415882 Vs - Vd 8 2 0.21598784 -0.36355821 2 0.53746200 3.07038596 3 0.00000000 0.00000000 3 0.00000000 0.00000000 3 0.00000000 0.00000000 4 0.62577324 -20.63532679 4 0.59678002 21.99898274 4 1.37686099 0.20803567 Vp - Vd 8 2 0.73707609 566.66226031 2 0.35450634 -564.51997713 3 0.77305566 -773.02525574 3 0.71204109 122.20550069 3 0.78461051 650.81975505 4 0.39677047 51.69446576 4 0.44242579 33.46324226 4 0.62859289 132.38958421