DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Ir When : 13 Oct 04 Vd 8 1 7.12854359 9.00000000 2 1.16993007 -40.52223478 2 10.12263752 26.64091968 3 12.24801645 -104.67122681 3 9.31908621 168.82811911 4 3.07333802 651.30974703 4 2.76855397 -505.11628544 4 1.74854142 76.07473049 Vs - Vd 8 2 3.29783478 -1184.28048434 2 6.12911587 1194.78252120 3 2.85941561 2198.73463097 3 2.57368449 -1783.46448868 3 4.00617982 -415.27014229 4 1.96728776 168.54855874 4 3.13519258 601.46221366 4 5.13993933 2647.38836719 Vp - Vd 8 2 1.17377006 -2215.17961280 2 3.57053298 2223.34542180 3 3.53334171 126.50569121 3 4.86288181 -146.83651434 3 11.39358381 20.33082313 4 1.35885784 1136.61823072 4 3.83248967 1099.89230860 4 2.30615397 3101.90610040