Commit 22e17e2e by Robin Hilgers

### Implemented logical potential switch in outcdn.f90 instead of...

`Implemented logical potential switch in outcdn.f90 instead of sliceplot%plplot. Soon plplot will be removed from FLEUR. Also worked on plot.f90.`
parent 39fc2c62
 ... ... @@ -5,10 +5,15 @@ ! calculates the charge density at given point p(i=1,3) ! ******************************************************** CONTAINS SUBROUTINE outcdn(& & p,n,na,iv,iflag,jsp,sliceplot,stars,& !SUBROUTINE outcdn(& !& p,n,na,iv,iflag,jsp,l_potential,stars,& !& vacuum,sphhar,atoms,sym,cell,oneD,& !& qpw,rhtxy,rho,rht,& !& xdnout) SUBROUTINE outcdn(& & p,n,na,iv,iflag,jsp,l_potential,stars,& & vacuum,sphhar,atoms,sym,cell,oneD,& & qpw,rhtxy,rho,rht,& & potDen,& & xdnout) ! use m_constants ... ... @@ -17,7 +22,7 @@ USE m_ylm IMPLICIT NONE ! TYPE(t_sliceplot),INTENT(IN) :: sliceplot ! TYPE(t_sliceplot),INTENT(IN) :: sliceplot TODO:Remove TYPE(t_stars),INTENT(IN) :: stars TYPE(t_vacuum),INTENT(IN) :: vacuum TYPE(t_sphhar),INTENT(IN) :: sphhar ... ... @@ -25,6 +30,7 @@ TYPE(t_sym),INTENT(IN) :: sym TYPE(t_cell),INTENT(IN) :: cell TYPE(t_oneD),INTENT(IN) :: oneD TYPE(t_potden),INTENT(IN) :: potDen ! .. Scalar Arguments .. ... ... @@ -34,20 +40,30 @@ !+odim ! .. ! .. Array Arguments .. COMPLEX, INTENT (IN) :: qpw(:,:) !(stars%ng3,input%jspins) COMPLEX, INTENT (IN) :: rhtxy(:,:,:,:) !(vacuum%nmzxyd,oneD%odi%n2d-1,2,input%jspins) REAL, INTENT (IN) :: rho(:,0:,:,:) !(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins) REAL, INTENT (IN) :: rht(:,:,:) !(vacuum%nmzd,2,input%jspins) COMPLEX qpw(:,:) !(stars%ng3,input%jspins) COMPLEX rhtxy(:,:,:,:) !(vacuum%nmzxyd,oneD%odi%n2d-1,2,input%jspins) REAL rho(:,0:,:,:) !(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins) REAL rht(:,:,:) !(vacuum%nmzd,2,input%jspins) REAL, INTENT (INOUT) :: p(3) ! .. ! .. Local Scalars .. REAL delta,s,sx,xd1,xd2,xx1,xx2,rrr,phi INTEGER i,j,jp3,jr,k,lh,mem,nd,nopa,ivac,ll1,lm ,gzi,m ! .. Logical Argumens .. LOGICAL, INTENT (IN) :: l_potential ! .. ! .. Local Arrays .. COMPLEX sf2(stars%ng2),sf3(stars%ng3),ylm((atoms%lmaxd+1)**2) REAL rcc(3),x(3) !Temp. Variable Assignment TODO: Can be removed as soon as the potDen datatype has been implemented in the whole file. qpw=potDen%pw rhtxz=den%vacxy rho=den%mt rht=den%vacz ivac=iv ... ... @@ -181,13 +197,13 @@ lm = ll1 + sphhar%mlh(mem,lh,nd) s = s + real( sphhar%clnu(mem,lh,nd)*ylm(lm) ) ENDDO IF (sliceplot%plpot) THEN IF (l_potential) THEN xd1 = xd1 + rho(jr,lh,n,jsp)*s ELSE xd1 = xd1 + rho(jr,lh,n,jsp)*s/ (atoms%rmsh(jr,n)*atoms%rmsh(jr,n)) END IF IF (jr.EQ.atoms%jri(n)) CYCLE IF (sliceplot%plpot) THEN IF (l_potential) THEN xd2 = xd2 + rho(jr+1,lh,n,jsp)*s ELSE xd2 = xd2 + rho(jr+1,lh,n,jsp)*s/& ... ...