******************************************************************************** * * * 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 ### tail #### c subroutine tail (psi) implicit integer*4 (i-n) implicit real*8 (a-h,o-z) c include 'commons8.inc' dimension psi(*) c examine the tails of all orbitals and determine location of the last c maximum (in mi variable), i.e. c f(max)=max{vmax(1),vmax(2),...,vmax(nni)} c and the maximum value of psi at the last mi=nmi grid line do iorb=1,norb ibeg=i1b(iorb)-1 vpmax=-1.d30 imaxg =0 vpmax=-1.d30 do ini=1,nni ijk=(mxnmu-1)*nni+ini vp=abs(psi(ibeg+ijk)) if (vp.gt.vpmax) then vpmax=vp inimax=ini endif enddo write(*,5110) 'tail: ',iorb,inimax,vpmax enddo 5000 continue 5100 format(' orbital ni max{psi(ni,mxnmui)} ') 5110 format(1x,a10,2i5,2x,d12.2) return end