ADAS Subroutine effz3
subroutine effz3( jealfa , n , l , e , qd ,
& jsn , z0 , nshell , nc , numel ,
& alfa , jalf1 , jalf2 ,
& x0 , x1 , x2 , d , m0
& )
C-----------------------------------------------------------------------
C
C ****************** fortran77 program: effz3.for *********************
C
C Purpose: Searches for the effective potential for a single electron
C distorted wave function for a specified screening or a
C specified energy.
C (original by A. Burgess, DAMTP, University of Cambridge)
C
C
C Subroutine:
C
C input : (i*4) jealfa = <0 => search for energy e
C = >0 => search for screening parameter alfa
C input : (i*4) n = principal quantum number
C input : (i*4) l = orbital quantum number
C i/o : (i*4) e = energy (Ryd) for electron.
C (NB -ve for a bound state)
C input : (i*4) qd = quantum defect for valence electron
C input : (i*4) jsn = -1 => Jucys potential form adopted
C = 0 => Slater potential form adopted
C input : (i*4) z0 = nuclear charge
C input : (i*4) nshell = number of screening shells
C input : (i*4) nc() = principal quantum number of screening shell
C 1st dim: index of screening shells
C input : (i*4) numel() = number of electrons in screening shell
C i/o : (r*8) alfa() = screening parameters
C 1st dim: initial (1) and final (2) states
C 2nd dim: screening shell index.
C input : (i*4) jalf1 = first screening shell for optimising
C input : (i*4) jalf2 = last screening shell for optimising
C output: (i*4) x0 = inner turning point
C output: (i*4) x1 = outer turning point
C output: (i*4) x2 = range for active electron wave function
C input : (i*4) d = earch accuracy setting
C output: (i*4) m0 = number of nodes in wave function
C
C
C
C Routines:
C routine source brief description
C -------------------------------------------------------------
C zeff adas
C zser adas
C fcf6 adas
C i4unit adas fetch unit number for output of messages
C
C
C Author: H. P. Summers, University of Strathclyde
C ja7.08
C tel. 0141-548-4196
C
C Date: 24/02/03
C
C Update: HP Summers 24/05/04 restructure and addded standard warning
C
C-----------------------------------------------------------------------
INTEGER JALF1, JALF2, JEALFA, JSN
INTEGER L, M0, N, NC(10)
INTEGER NSHELL, NUMEL(10)
REAL*8 ALFA(10), D, E, QD
REAL*8 X0, X1, X2, Z0