******************************************************************************** * * * 2DHF version 1-2003 * * Copyright (C) 1996 Jacek Kobus, Leif Laaksonen, Dage Sundholm * * * * This software may be used and distributed according to the terms * * of the GNU General Public License, see README and COPYING. * * * ******************************************************************************** c ### iniaorb ### c c Initializes array aorb which is used by asyorb to calculate c boundary values of a given orbital at the practical infinity. c subroutine iniaorb (nmi,aorb,aorb1) implicit integer*4 (i-n) implicit real*8 (a-h,o-z) include 'commons8.inc' dimension aorb(nni,4),aorb1(*) jj=0 do j=nmi-3,nmi jj=jj+1 itt=(j-1)*nni do i=1,nni kk=i+itt raiq1=sqrt(vxisq(j-1)+vetasq(i)-1.d0) raiq =sqrt(vxisq(j)+vetasq(i)-1.d0) aorb(i,jj)=(abs(aorb1(kk-nni)/aorb1(kk)))**0.25d0 & *exp(sqrt(abs(aorb1(kk-nni)))*(raiq1-raiq)) enddo enddo return end