Search Site | Contact Details | FAQ

ADAS Subroutine adwlpol

       SUBROUTINE ADWLPOL(Z0,NLQS,NSHELL,NA,LA,EA,QDA,ALFAA,JSN,JEALFA,
     &ACC,XMAX,H,LAM,IREPT,IEXT,ANS,OPEN17)
       IMPLICIT REAL*8(A-H,O-Z)
C-----------------------------------------------------------------------
C  VERSION OF DWLPOL FOR USE BY ADASRRC.  IT AVOIDS ALFA SEARCH FOR FREE
C  WAVE FUNCTIONS BY USING SAME SCREENING PARAMETERS AS BOUND STATE
C  ************** H.P. SUMMERS, JET   30 JUNE 1992 *********************
C
C  PURPOSE: EVALUATES LAM-POLE RADIAL MATRIX ELEMENTS USING DISTORTED
C  WAVES
C
C  BOUND-BOUND, BOUND-FREE AND FREE-FREE CASES ARE HANDLED.  THE
C  DISTORTED WAVES ARE IN A JUCYS OR SLATER TYPE POTENTIAL.
C  ************** H.P. SUMMERS, JET  24 APRIL 1985 *********************
C  INPUT
C      Z0=NUCLEAR CHARGE (+VE)
C      NLQS(I)=N,L,IQ FOR EACH SCREENING SHELL I=1 TO NSHELL
C      NSHELL=NUMBER OF SCREENING SHELLS
C      NA(1),NA(2)=INITIAL AND FINAL STATE PRINCIPAL QUANTUM NUMBERS.
C                  SET TO ZERO FOR FREE STATES
C      LA(1),LA(2)=INITIAL AND FINAL STATE ORBITAL QUANTUM NUMBERS.
C      EA(1),EA(2)=ENERGIES(RYD) OF INITIAL AND FINAL STATES
C                  SET <0 FOR BOUND STATES, SET >0 FOR FREE STATES.
C      QDA(1),QDA(2)=QUANTUM DEFECTS FOR INITIAL AND FINAL STATES.
C                    EXTRAPOLATED QUANTUM DEFECT USED FOR FREE STATE
C      ALFAA(1,I),ALFAA(2,I)=SCREENING PARAMETERS FOR INITIAL AND FINAL
C                            STATES FOR EACH SHELL I=1 TO NSHELL.
C      JSN=-1 JUCYS POTENTIAL
C         =0  SLATER POTENTIAL
C      JEALFA=0 SEARCH FOR ENERGIES GIVEN POTENTIAL (NO EFFECT FOR
C                   FREE STATES)
C            =1 SEARCH FOR ALFAA PARAMETERS FOR POTENTIAL GIVEN ENERGIES
C                   AND QUANTUM DEFECTS.
C      ACC=SEARCH ACCURACY SETTING
C      XMAX=RANGE FOR NUMERICAL WAVE FUNCTION GENERATION AND STORAGE
C      H=STEP INTERVAL FOR NUMERICAL WAVE FUNCTION STORAGE
C      LAM=MULTIPOLE (FOR RADIAL INTEGRAL <X**LAM>)
C      IREPT=0 FULL WAVE FUNCTION DETERMINATION
C           =1 REPETITION WITH SAME WAVE FUNCTIONS AS IN PREVIOUS CASE
C           =2 USE SAME BOUND WAVE FUNCTIONS AS IN PREVIOUS CASE,
C              USE FREE WAVE FUNCTIONS IN SAME POTENTIAL AS IN PREVIOUS
C              BUT WITH POSSIBLY DIFFERENT ENERGIES.
C      IEXT=0 NORMAL OPERATION WITH INTERNALLY GENERATED WAVE FUNCTIONS
C          =1 USE EXTERNAL WAVE FUNCTIONS SUPPLIED IN FUNCTION
C             GEXT(X,N,L) WITH N AND L SPECIFYING ORBITAL.
C      OPEN17 = FLAG WHETHER UNIT 17 IS OPENED OR NOT
C  OUTPUT
C      ANS=RADIAL INTEGRAL (AT. UNITS)
C
C
C  UPDATE:  HP SUMMERS  16/06/95  ALTER DEFINIAITON OF NLQS AS
C                                 1000*N+100*L+IQ TO AVOID PROBLEM WHEN\
C                                 NUMBER OF EQUIVALENT ELECTRONS IS 10.
C UNIX-IDL PORT:
C
C AUTHOR:  WILLIAM OSBORN (TESSELLA SUPPORT SERVICES PLC)
C
C DATE:    4TH JULY 1996
C
C VERSION: 1.1                          DATE: 04-07-96
C MODIFIED: WILLIAM OSBORN
C               - FIRST VERSION.
C
C VERSION: 1.2                          DATE: 19-08-96
C MODIFIED: WILLIAM OSBORN
C               - COMMENTED-OUT DIAGNOSTIC OUTPUT.
C               - ADDED OPEN17 PARAMETER.
C
C VERSION: 1.3                          DATE: 23-08-96
C MODIFIED: WILLIAM OSBORN
C               - CORRECTED OUTPUT TO STREAM 17
C
C VERSION: 1.4                          DATE: 19-12-01
C MODIFIED: Martin O'Mullane
C               - Removed junk from > column 72.
C
C VERSION: 1.5                          DATE: 16-05-07
C MODIFIED: Allan Whiteford
C               - Modified comments as part of subroutine documentation
C                 procedure.
C-----------------------------------------------------------------------
      INTEGER             IEXT,        IREPT,       JEALFA,      JSN
      INTEGER             LA(2),       LAM,         NA(2)
      INTEGER             NLQS(10),    NSHELL
      LOGICAL             OPEN17
      REAL*8              ACC,         ALFAA(2,10), ANS,         EA(2)
      REAL*8              H,           QDA(2),      XMAX,        Z0
© Copyright 1995-2024 The ADAS Project
Comments and questions to: adas-at-adas.ac.uk