File: DELTAL.FT of Tape: Various/ETH/f2
(Source file text)
COMMENT PROGRAM DELTAL COMMON/W/ W1,GQ,WG,WH,NWMAX,DQSQ,MAXNO,PI,GR,ARMAX COMMON/P/ HSTVOL,HSTKF,EF,NPURE,HSTVAL,HSTRC,POISSO,HSTNM COMMON/M/ GSTKF,GSTVOL,GSTVAL,GSTRC,DVOVV,GSTNM DIMENSION W1(1001),GQ(1001) DIMENSION WG(20),WH(20) DIMENSION GR(250),DL(5,5) DIMENSION TITLE1(5),TITLE2(5),TITLE3(5),TITLE4(5) DATA TITLE1 /'ASHCROFT PP:'/ DATA TITLE2 /'HEINE-ABARENKOV PP:'/ DATA TITLE3 /'PHASE SHIFTS'/ DATA TITLE4 /'FRIEDEL SUM'/ INTEGER ARMAX PI=4.*ATAN(1.) MAXNO=19 READ(5,500) HSTNM,NPURE,EF,HSTKF,HSTVOL,HSTVAL,HSTRC,POISSO 500 FORMAT(A2,I2,6F9.5) IF (HSTRC.EQ.0) READ(5,501) (WH(K),K=1,MAXNO) 501 FORMAT((F9.5)) READ(6,502) GSTNM,GSTKF,GSTVOL,GSTVAL,GSTRC,DVOVV 502 FORMAT(A2,5F9.5) IF (GSTRC.EQ.0) READ(6,501) (WG(K),K=1,MAXNO) CALL PSEUDO GR(ARMAX)=0. GR(ARMAX+1)=.5 GQ(ARMAX)=-.45 GQ(ARMAX+1)=.15 CALL PLOTS(.02,0) CALL XYPLOT(-8,-8,-3) CALL AXIS(0,0,'Q/KF',-4,6,0,1,GR(ARMAX),GR(ARMAX+1)) CALL AXIS(0,0,'V (RYDBERG)',11,6,90,2,GQ(ARMAX),GQ(ARMAX+1)) CALL LINE(GR,GQ,ARMAX-1,1,0,200) IF (GSTRC.NE.0) CALL SYMBOL(1,15,.7,TITLE1,0,12) IF (GSTRC.EQ.0) CALL SYMBOL(1,15,.7,TITLE2,0,19) CALL WHERE(A,B,C) CALL SYMBOL(A,15,.7,HSTNM,0,2) CALL SYMBOL(A+1.4,15,.7,'-',0,1) CALL SYMBOL(A+2.1,15,.7,GSTNM,0,2) CALL PLEXIT FSUM=0.0 DELST=0.0 SL=0.0 DO 5 LL=1,5 DELTA=0.0 L=LL-1 DO 4 N=1,NWMAX QUPKF2=DQSQ*FLOAT(N-1)/EF IF (QUPKF2.GT.4.0) GO TO 3 X=1.-QUPKF2/2. IF (L.EQ.0) PL=1. IF (L.EQ.1) PL=X IF (L.EQ.2) PL=.5*(3.*X**2-1.) IF (L.EQ.3) PL=.5*(5.*X**3-3.*X) IF (L.EQ.4) PL=.125*(35.*X**4-30.*X**2+3.) DELTA=DELTA+W1(N)*PL 4 CONTINUE 3 CONTINUE DELTA=DELTA*(DQSQ/EF)*HSTVOL*HSTKF/(-16.*PI) FSUM=FSUM+(2./PI)*FLOAT(2*L+1)*DELTA DL(LL,1)=DELTA**2 DL(LL,2)=SIN(DELTA)**2 DL(LL,3)=(DELTA-DELST)**2 DL(LL,4)=SIN(DELTA-DELST)**2 IF (L.GT.0) SL=SL+FLOAT(L)*DL(LL,4) DL(LL,5)=SL DELST=DELTA WRITE(4,800) L,DELTA,FSUM 5 CONTINUE WRITE(4,801) WRITE(4,802) ((DL(K,L),L=1,5),K=1,5) 800 FORMAT(1H0,'L='I3,5X,'DELTA='F12.6,' FRIEDEL SUM='F12.6) 801 FORMAT(1H0,'DEL**2'T14'SIN(DEL)**2'T28'DDEL**2'T42 1 'SIN(DDEL)**2'T56'SUM L*SIN(DDEL)**2',/,1H ) 802 FORMAT(5(/,1H ,5(F10.5,4X))) END