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