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