DF Pseudopotential fit - CRYSTAL98 format ====================================== Element : Ir When : 13 Oct 04 INPUT 9.000 8 8 8 0 0 0 7.12854359 9.00000000 -1 1.16993007 -40.52223478 0 10.12263752 26.64091968 0 12.24801645 -104.67122681 1 9.31908621 168.82811911 1 3.07333802 651.30974703 2 2.76855397 -505.11628544 2 1.74854142 76.07473049 2 3.29783478 -1184.28048434 0 6.12911587 1194.78252120 0 2.85941561 2198.73463097 1 2.57368449 -1783.46448868 1 4.00617982 -415.27014229 1 1.96728776 168.54855874 2 3.13519258 601.46221366 2 5.13993933 2647.38836719 2 1.17377006 -2215.17961280 0 3.57053298 2223.34542180 0 3.53334171 126.50569121 1 4.86288181 -146.83651434 1 11.39358381 20.33082313 1 1.35885784 1136.61823072 2 3.83248967 1099.89230860 2 2.30615397 3101.90610040 2