zfmtinp.f90

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! Copyright (C) 2002-2005 J. K. Dewhurst, S. Sharma and C. Ambrosch-Draxl.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.
 
!BOP
! !ROUTINE: zfmtinp
! !INTERFACE:
pure complex(8) function zfmtinp(nr,nri,wr,zfmt1,zfmt2)
! !USES:
use modmain
! !INPUT/OUTPUT PARAMETERS:
!   nr    : number of radial mesh points (in,integer)
!   nri   : number of points on the inner part of the muffin-tin (in,integer)
!   wr    : weights for integration on radial mesh (in,real(nr))
!   zfmt1 : first complex muffin-tin function in spherical harmonics
!           (in,complex(*))
!   zfmt2 : second complex muffin-tin function (in,complex(*))
! !DESCRIPTION:
!   Calculates the inner product of two complex fuctions in the muffin-tin. In
!   other words, given two complex functions of the form
!   $$ f({\bf r})=\sum_{l=0}^{l_{\rm max}}\sum_{m=-l}^{l}f_{lm}(r)Y_{lm}
!    (\hat{\bf r}), $$
!   the function returns
!   $$ I=\sum_{l=0}^{l_{\rm max}}\sum_{m=-l}^{l}\int f_{lm}^{1*}(r)
!    f_{lm}^2(r)r^2\,dr\;. $$
!
! !REVISION HISTORY:
!   Created November 2003 (Sharma)
!   Modified, September 2013 (JKD)
!   Modified for packed functions, June 2016 (JKD)
!EOP
!BOC
implicit none
! arguments
integer, intent(in) :: nr,nri
real(8), intent(in) :: wr(nr)
complex(8), intent(in) :: zfmt1(*),zfmt2(*)
! local variables
integer n,ir,i
! compute the dot-products for each radial point and integrate over r
zfmtinp=0.d0
if (lmaxi == 1) then
  do ir=1,nri
    i=4*(ir-1)+1
    zfmtinp=zfmtinp+wr(ir) &
     *(conjg(zfmt1(i))*zfmt2(i) &
      +conjg(zfmt1(i+1))*zfmt2(i+1) &
      +conjg(zfmt1(i+2))*zfmt2(i+2) &
      +conjg(zfmt1(i+3))*zfmt2(i+3))
  end do
  i=4*nri+1
else
  i=1
  n=lmmaxi-1
  do ir=1,nri
    zfmtinp=zfmtinp+wr(ir)*dot_product(zfmt1(i:i+n),zfmt2(i:i+n))
    i=i+lmmaxi
  end do
end if
n=lmmaxo-1
do ir=nri+1,nr
  zfmtinp=zfmtinp+wr(ir)*dot_product(zfmt1(i:i+n),zfmt2(i:i+n))
  i=i+lmmaxo
end do
end function
!EOC