DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Mn When : 13 Oct 04 Vd 8 1 0.81782596 7.00000000 2 0.87605588 -6.97211244 2 25.88404701 -50.14840210 3 11.12945393 1398.44994186 3 11.26289928 -1392.72516013 4 14.41018214 -1308.97426374 4 4.20806038 -81.50356568 4 9.94336921 86.32627202 Vs - Vd 8 2 2.02320631 1088.70874276 2 4.46989025 -1036.17677960 3 9.58481555 -5645.74471998 3 2.35499489 -1350.91066591 3 8.24983750 6996.65538589 4 13.23583723 -1393.34926830 4 11.66530016 7302.29598168 4 9.38533006 -8337.86080488 Vp - Vd 8 2 1.15173397 52.25658295 2 24.48538148 -1.02062975 3 11.80598874 -799.46474788 3 1.57651685 -60.42825620 3 11.00240531 859.89300408 4 13.64408203 1039.59431176 4 22.48659551 -230.95780250 4 9.60344592 -773.44133652