DF Pseudopotential fit - CRYSTAL98 format ====================================== Element : Ba When : 13 Oct 04 INPUT 2.000 8 8 8 0 0 0 1.12669856 2.00000000 -1 0.85530388 -250.98792190 0 0.65463226 248.72014434 0 0.53334576 3.33447589 1 0.32899600 -1.08107878 1 0.75226528 -56.83726155 2 1.09331162 305.49070755 2 1.09860181 -300.50415882 2 0.21598784 -0.36355821 0 0.53746200 3.07038596 0 0.18978805 0.00000000 1 0.31998741 0.00000000 1 0.16036844 0.00000000 1 0.62577324 -20.63532679 2 0.59678002 21.99898274 2 1.37686099 0.20803567 2 0.73707609 566.66226031 0 0.35450634 -564.51997713 0 0.77305566 -773.02525574 1 0.71204109 122.20550069 1 0.78461051 650.81975505 1 0.39677047 51.69446576 2 0.44242579 33.46324226 2 0.62859289 132.38958421 2