Program Na2Pes implicit none logical, parameter:: lsetup=.false. integer i, nv real*8 r, v, v1sg, v3su, sys_ss_pot real*8, parameter:: r0=1.0d0, deltar=0.01d0 open(unit=6,file="Na2Pot.txt") do i=1,5000 r=r0+deltar*i nv=1 v1sg=sys_ss_pot(r,v,nv,lsetup) ! input r(a0), v(cm-1), sys_ss_pot(au) nv=2 v3su=sys_ss_pot(r,v,nv,lsetup) ! input r(a0), v(cm-1), sys_ss_pot(au) write(6,10)r,v1sg,v3su end do 10 format(1x, 1p3e15.7) close(unit=6) stop end