mirror of https://gitlab.com/QEF/q-e.git
34 lines
839 B
Fortran
34 lines
839 B
Fortran
!---------------------------------------------------------------
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subroutine outward(y,f,g,mesh,imatch,ncross)
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!---------------------------------------------------------------
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! outward integration. numerov method.
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!
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use kinds, only: DP
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use radial_grids, only: ndmx
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implicit none
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!
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! I/O variables
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!
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integer :: mesh,imatch, ncross
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real (DP) :: y(ndmx), f(ndmx), g(ndmx)
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!
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! local variables
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!
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integer :: n
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real (DP) :: ymx
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if (ndmx.lt.mesh) stop ' outward : ndmx .lt. mesh !!!!'
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!
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ncross=0
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ymx=0.d0
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do n=2,imatch-1
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y(n+1)=((12.d0-10.d0*f(n))*y(n)-f(n-1)*y(n-1)+g(n))/f(n+1)
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if ( y(n) .ne. sign(y(n),y(n+1)) ) ncross=ncross+1
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ymx=max(ymx,abs(y(n)))
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end do
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if(ymx.ge.1.0d10) write (*,*) ' ******** ymx.ge.1.0e10 ********'
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!
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return
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end subroutine outward
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