mirror of https://gitlab.com/QEF/q-e.git
33 lines
921 B
Fortran
33 lines
921 B
Fortran
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!
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!---------------------------------------------------------------
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subroutine do_mesh(rmax,zmesh,xmin,dx,ibound,ndm, &
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mesh,r,r2,sqr)
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!---------------------------------------------------------------
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!
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implicit none
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integer, parameter :: dp = kind(1.d0)
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integer:: ibound, ndm, mesh, i
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real(kind=dp) :: zmesh, xmin, xmax, x, dx, rmax, &
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r(ndm), r2(ndm), sqr(ndm)
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!
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xmax=dlog(rmax*zmesh)
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mesh=(xmax-xmin)/dx+1
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!
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! mesh must be odd for simpson integration.
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! one more point in mesh can be used in program kerker
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!
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mesh=2*(mesh/2)+1
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if(mesh+1.gt.ndm) &
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call errore('do_mesh','ndm is too small',1)
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if(ibound.eq.1) xmin=xmax-dx*(mesh-1)
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!
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do i=1,mesh
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x=xmin+dble(i-1)*dx
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r(i)=exp(x)/zmesh
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r2(i)=r(i)*r(i)
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sqr(i)=sqrt(r(i))
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end do
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!
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return
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end
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