DF Pseudopotential fit - GAUSSIAN98 format ====================================== Element : Mn When : 17 Mar 08 Vd 8 1 5.18371402 13.00000000 2 5.06065032 -578541.89058487 2 6.70792867 578503.38848415 3 6.17952209 -51913.84692424 3 6.17539491 51981.23520653 4 6.42176078 363344.02202434 4 5.85884127 267112.71548476 4 5.30004030 322304.52239107 Vs - Vd 8 2 2.36735511 1419.16815158 2 10.44777616 -1393.80593768 3 3.38832573 90835.30824196 3 3.33976449 -87236.54130341 3 4.59371397 -3598.76693855 4 4.53305698 -6244.54083570 4 6.80451212 1227.60592152 4 8.40561309 -6185.56255228 Vp - Vd 8 2 2.94114594 4024.75281098 2 7.86104996 -4009.68099577 3 5.47734943 6036.24229971 3 7.26632213 597.55987937 3 5.64966653 -6633.80217908 4 4.35053539 -8536.73955532 4 3.10976563 -2120.81538582 4 6.88076377 -9025.36229250