******************************************************************************** * * * 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 ### asymorb ### c c Calculates asymptotic values of a given orbital at the practical infinity. c subroutine asymorb (nmi,psi,aorb) implicit integer*4 (i-n) implicit real*8 (a-h,o-z) include 'commons8.inc' dimension psi(*),aorb(nni,4) jj=0 do j=nmi-3,nmi itt=(j-1)*nni jj=jj+1 do i=1,nni kk=i+itt ps1=psi(kk) psi(kk)=psi(kk-nni)*aorb(i,jj) psi(kk)=ps1+omega*(psi(kk)-ps1) enddo enddo return end