to run grid calcualtin it is necessary to put basis functions (.wf*) into ./Fdata/basis then switch on iks=1, and off imcweda = 0, idogs = 0, as shown in following firebal.in example &OPTION basisfile = answer.bas lvsfile = cel.lvs icluster = 0 nstepf = 1 sigmatol = 0.0000000001 max_scf_iterations = 100 dt = 0.5 iqout = 0 ifixcharge = 0 iks = 1 imcweda = 0 idogs = 0 &END &MESH ifixg0 = 1 # this will fix origin of grid g0 = 0.0,0.0,0.0 # in this position &END