DF SO Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Fe When : 13 Oct 04 Vd 8 1 2.32750861 0.00000000 2 0.43338602 -0.00237137 2 6.24452211 0.07511080 3 2.19378279 -2.11247304 3 2.18908283 2.11247304 4 21.44955211 -3.98335378 4 17.95491982 7.09811461 4 12.54116147 -2.64675752 Vp 8 2 2.83018417 -85.20902090 2 3.81361019 85.16016280 3 7.28719845 1.62226115 3 1.38115428 0.83378167 3 4.51179425 -2.45604282 4 21.85732468 -0.31250441 4 3.35121926 84.06700679 4 19.83252710 -0.14406022