DF Pseudopotential fit - GAMESS format ====================================== Element : Fe When : 18 Nov 05 $ECP Fe-DFECP GEN 18 2 6 ..... Vd ..... 8.00000000 1 15.22430826 44.74166498 2 23.61492800 -111.48295214 2 10.92989564 4.87905385 2 34.25190536 -3.87905385 2 1.33822720 121.79446608 3 12.33553803 6 ..... Vs-Vd ..... -19.50464924 2 30.77395752 78.13974335 2 10.21396062 -93.51149367 2 7.16717891 -5331.00729306 2 2.86167947 2973.12062964 2 2.65030718 2452.39961633 2 3.20024669 6 ..... Vp-Vd ..... 24692.89537881 2 35.68878072 -24635.37117467 2 1.90446408 67.20321584 2 9.50100295 -24719.85685234 2 35.67756831 155.45498669 2 2.48480944 24498.19947049 2 1.90126047 $END