DF Pseudopotential fit - GAMESS format ====================================== Element : Ca When : 18 Nov 05 $ECP Ca-DFECP GEN 18 2 6 ..... Vd ..... 2.00000000 1 0.74758765 308735.40641498 2 0.72269274 -308740.90975833 2 0.72197603 7202.81432103 2 0.70435779 -7201.81432103 2 0.73462875 1.49517531 3 0.98521314 6 ..... Vs-Vd ..... 3358.40551562 2 0.85820603 -3354.33378202 2 0.50055931 645.82930380 2 0.77593512 -4032.30085432 2 0.85197466 3315.68514964 2 0.50005881 71.78714429 2 1.01826143 6 ..... Vp-Vd ..... 3797.10880911 2 0.54666026 -3794.15970380 2 0.55760964 1988.78457523 2 0.66771019 13912.48066729 2 0.71662858 -408.96685813 2 0.50701325 -15491.29677996 2 0.71335086 $END