DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Fe When : 17 Mar 08 Vd 8 1 5.12237041 14.00000000 2 2.51511645 -40.17016318 2 68.88205922 -1.31093574 3 8.04518971 233.53970769 3 11.87602774 -161.82652195 4 5.09693593 -1791.82033120 4 4.72210640 1599.45078669 4 1.70594204 1.03695301 Vs - Vd 8 2 1.98046097 26.70612465 2 129.99498266 0.57578912 3 2.39996246 3039.39666376 3 2.43500497 -3165.32503397 3 5.42607639 125.92837021 4 8.00515516 -291.65810402 4 5.38996549 391.88052787 4 21.57361672 27.51771082 Vp - Vd 8 2 2.73200743 624.99065580 2 8.14205971 -610.14663705 3 6.81776145 1017.89543597 3 25.88593190 -40.92293045 3 5.88766735 -976.97250552 4 3.94271278 -1433.26030940 4 2.68547503 -167.70300401 4 8.24853344 -1659.40792313