DF SO Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Ba When : 13 Oct 04 Vd 8 1 1.12669856 0.00000000 2 1.10887062 1.01784394 2 2.06192680 -0.99601742 3 0.32478001 -0.00971894 3 0.26454929 0.00971894 4 1.58762323 -0.00339190 4 0.28751945 -0.00390241 4 1.60777110 -0.91776345 Vp 8 2 0.64484097 1.31913733 2 0.29799007 -1.40971179 3 0.31396211 0.02714130 3 0.81758826 -0.40804570 3 0.79606966 0.38090440 4 0.29539920 0.21272288 4 0.44283724 -0.14975451 4 0.62859289 0.36758532