kexpot.f File Reference

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Functions/Subroutines
subroutine	kexpot (za, aa, rela, n, zi, ai, ep)

Function/Subroutine Documentation

kexpot()

subroutine kexpot	(	real*8, dimension(n)	za,
		real*8, dimension(n)	aa,
		real*8, dimension(n)	rela,
		integer	n,
		real*8	zi,
		real*8	ai,
		real*8	ep
	)

Definition at line 21 of file kexpot.f.

         implicit none
         integer n
        real*8 za(n) ! input. za(i) is the charge of the i-th atom
        real*8 aa(n) ! input. aa(i) the mass # of i-th atom
        real*8 rela(n) ! input. rela(i) the relative number of i-th atom
         real*8 zi      ! output. weighted sum of za
        real*8 ai      ! output. weighted sum of aa
        real*8 ep      ! output. Excitention potential in eV

!
         integer i
         real*8 sumli, expi

        ai = 0.
        zi = 0.
        do   i = 1, n
             ai = ai + aa(i)*rela(i)
             zi = zi + za(i)*rela(i)
        enddo
!
        sumli=0.
        do   i=1, n
             if(za(i) .eq. 1) then
                   expi=18.7
             elseif(za(i) .lt. 13.) then
                   expi=13.*za(i)
             else
                   expi=za(i) *( 9.76 + 58.8*za(i)**(-1.19))
             endif
             sumli=sumli + za(i)*rela(i)/zi * log(expi)
        enddo
        ep=exp(sumli)