DF Pseudopotential fit - GAMESS format ====================================== Element : Ir When : 18 Nov 05 $ECP Ir-DFECP GEN 68 2 6 ..... Vd ..... 9.00000000 1 4.40133251 22.55618952 2 2.40243137 -36.43750462 2 1.48719562 0.00000000 2 1.03609681 0.00000000 2 1.86707983 39.61199259 3 1.99301539 6 ..... Vs-Vd ..... -441320.43133311 2 2.27090493 441329.93451938 2 2.39814096 334725.60507242 2 2.25057300 -334724.60622184 2 2.41840320 0.00000000 2 19.62134246 0.00000000 2 4.41913819 6 ..... Vp-Vd ..... -6731.69358588 2 10.41322627 6738.85914034 2 1.51353409 8609.26381246 2 1.73238704 -2097.17153057 2 1.91626603 -13243.83786760 2 1.59305372 6732.74584024 2 10.41201670 $END