cylbes.f 1.88 KB
 Gregor Michalicek committed Jun 29, 2016 1 2 3 4 5 6 ``````!-------------------------------------------------------------------------------- ! Copyright (c) 2016 Peter Grünberg Institut, Forschungszentrum Jülich, Germany ! This file is part of FLEUR and available as free software under the conditions ! of the MIT license as expressed in the LICENSE file in more detail. !-------------------------------------------------------------------------------- `````` Markus Betzinger committed Apr 26, 2016 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 `````` MODULE m_cylbes use m_juDFT c******************************************************************** c generates cylindrical Bessel functions for a given x and for the orders c from mmax to -mmax c Y. Mokrousov c******************************************************************** CONTAINS SUBROUTINE cylbes( > mmax,x, < fJ) IMPLICIT NONE ! .. ! ..Arguments .. INTEGER, INTENT (IN) :: mmax REAL, INTENT (IN) :: x REAL, INTENT (OUT) :: fJ(-mmax:mmax) ! ! .. Parameters .. REAL, PARAMETER :: zero = 0.0 ! ..Locals .. INTEGER :: m,i,mass REAL :: quot REAL, ALLOCATABLE :: aux(:) ! .. IF (x.LT.zero) CALL juDFT_error("cylbes2",calledby="cylbes") IF (x.EQ.zero) THEN fJ(0) = 1. DO m=1,mmax fJ(m) = 0. fJ(-m) = 0. END DO RETURN END IF mass = INT( mmax + 50 + x ) ALLOCATE ( aux(0:mass) ) aux(mass) = 0.0 aux(mass-1) = 1.0e-22 DO i=mass-2,0,-1 aux(i) = 2*(i+1)*aux(i+1)/x - aux(i+2) END DO quot = aux(0) DO i=1,INT( mass/2. ) quot = quot + 2*aux(2*i) END DO fJ(0) = aux(0)/quot DO m=1,mmax fJ(m) = aux(m)/quot fJ(-m) = ((-1)**m)*fJ(m) END DO DEALLOCATE ( aux ) RETURN END SUBROUTINE cylbes END MODULE m_cylbes ``````