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Added files common to SE and CE. 

5 files are common to Series Expansion and Correlation Expansion
algortithms. They are now in the dedicated phd_ce_noso_nosp_nosym
folder.
This commit is contained in:
Sylvain Tricot 2022-02-09 11:43:35 +01:00
parent ca1fd04163
commit 1dba5cbe47
5 changed files with 665 additions and 0 deletions
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85
src/msspec/spec/fortran/phd_ce_noso_nosp_nosym/dwsph.f Normal file
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C
C=======================================================================
C
SUBROUTINE DWSPH(JTYP,JE,X,TLT,ISPEED)
C
C This routine recomputes the T-matrix elements taking into account the
C mean square displacements.
C
C When the argument X is tiny, no vibrations are taken into account
C
C Last modified : 25 Apr 2013
C
USE DIM_MOD
C
USE TRANS_MOD
C
DIMENSION GNT(0:N_GAUNT)
C
COMPLEX TLT(0:NT_M,4,NATM,NE_M),SL1,ZEROC
C
COMPLEX*16 FFL(0:2*NL_M)
C
DATA PI4,EPS /12.566371,1.0E-10/
C
ZEROC=(0.,0.)
C
IF(X.GT.EPS) THEN
C
C Standard case: vibrations
C
IF(ISPEED.LT.0) THEN
NSUM_LB=ABS(ISPEED)
ENDIF
C
COEF=PI4*EXP(-X)
NL2=2*LMAX(JTYP,JE)+2
IBESP=5
MG1=0
MG2=0
C
CALL BESPHE(NL2,IBESP,X,FFL)
C
DO L=0,LMAX(JTYP,JE)
XL=FLOAT(L+L+1)
SL1=ZEROC
C
DO L1=0,LMAX(JTYP,JE)
XL1=FLOAT(L1+L1+1)
CALL GAUNT(L,MG1,L1,MG2,GNT)
L2MIN=ABS(L1-L)
IF(ISPEED.GE.0) THEN
L2MAX=L1+L
ELSEIF(ISPEED.LT.0) THEN
L2MAX=L2MIN+2*(NSUM_LB-1)
ENDIF
SL2=0.
C
DO L2=L2MIN,L2MAX,2
XL2=FLOAT(L2+L2+1)
C=SQRT(XL1*XL2/(PI4*XL))
SL2=SL2+C*GNT(L2)*REAL(DREAL(FFL(L2)))
ENDDO
C
SL1=SL1+SL2*TL(L1,1,JTYP,JE)
ENDDO
C
TLT(L,1,JTYP,JE)=COEF*SL1
C
ENDDO
C
ELSE
C
C Argument X tiny: no vibrations
C
DO L=0,LMAX(JTYP,JE)
C
TLT(L,1,JTYP,JE)=TL(L,1,JTYP,JE)
C
ENDDO
C
ENDIF
C
RETURN
C
END

26
src/msspec/spec/fortran/phd_ce_noso_nosp_nosym/facdif.f Normal file
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C
C=======================================================================
C
SUBROUTINE FACDIF(COSTH,JAT,JE,FTHETA)
C
C This routine computes the plane wave scattering factor
C
USE DIM_MOD
C
USE TRANS_MOD
C
DIMENSION PL(0:100)
C
COMPLEX FTHETA
C
FTHETA=(0.,0.)
NL=LMAX(JAT,JE)+1
CALL POLLEG(NL,COSTH,PL)
DO 20 L=0,NL-1
FTHETA=FTHETA+(2*L+1)*TL(L,1,JAT,JE)*PL(L)
20 CONTINUE
FTHETA=FTHETA/VK(JE)
C
RETURN
C
END

113
src/msspec/spec/fortran/phd_ce_noso_nosp_nosym/facdif1.f Normal file
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C
C=======================================================================
C
SUBROUTINE FACDIF1(VKE,RJ,RJK,THRJ,PHIRJ,BETA,GAMMA,L,M,FSPH,JAT,J
&E,*)
C
C This routine computes a spherical wave scattering factor
C
C Last modified : 03/04/2006
C
USE DIM_MOD
USE APPROX_MOD
USE EXPFAC_MOD
USE TRANS_MOD
USE TYPCAL_MOD , I2 => IPHI, I3 => IE, I4 => ITHETA, I5 => IMOD, I
&6 => IPOL, I7 => I_CP, I8 => I_EXT, I9 => I_TEST
C
DIMENSION PLMM(0:100,0:100)
DIMENSION D(1-NL_M:NL_M-1,1-NL_M:NL_M-1,0:NL_M-1)
C
COMPLEX HLM(0:NO_ST_M,0:NL_M-1),HLN(0:NO_ST_M,0:NL_M-1),FSPH,RHOJ
COMPLEX HLM1,HLM2,HLM3,HLM4,ALMU,BLMU,SLP,SNU,SMU,VKE
COMPLEX RHOJK
C
C
DATA PI/3.141593/
C
A=1.
INTER=0
IF(ITL.EQ.1) VKE=VK(JE)
RHOJ=VKE*RJ
RHOJK=VKE*RJK
HLM1=(1.,0.)
HLM2=(1.,0.)
HLM3=(1.,0.)
HLM4=(1.,0.)
IEM=1
CSTH=COS(BETA)
IF((IFTHET.EQ.0).OR.(THRJ.LT.0.0001)) THEN
INTER=1
BLMU=SQRT(4.*PI/FLOAT(2*L+1))*CEXP((0.,-1.)*M*(PHIRJ-PI))
ENDIF
CALL PLM(CSTH,PLMM,LMAX(JAT,JE))
IF(ISPHER.EQ.0) NO1=0
IF(ISPHER.EQ.1) THEN
IF(NO.EQ.8) THEN
NO1=LMAX(JAT,JE)+1
ELSE
NO1=NO
ENDIF
CALL POLHAN(ISPHER,NO1,LMAX(JAT,JE),RHOJ,HLM)
IF(IEM.EQ.0) THEN
HLM4=HLM(0,L)
ENDIF
IF(RJK.GT.0.0001) THEN
NDUM=0
CALL POLHAN(ISPHER,NDUM,LMAX(JAT,JE),RHOJK,HLN)
ENDIF
CALL DJMN(THRJ,D,L)
A1=ABS(D(0,M,L))
IF(((A1.LT.0.0001).AND.(IFTHET.EQ.1)).AND.(INTER.EQ.0)) RETURN 1
&
ENDIF
MUMAX=MIN0(L,NO1)
SMU=(0.,0.)
DO 10 MU=0,MUMAX
IF(MOD(MU,2).EQ.0) THEN
B=1.
ELSE
B=-1.
IF(SIN(BETA).LT.0.) THEN
A=-1.
ENDIF
ENDIF
IF(ISPHER.LE.1) THEN
ALMU=(1.,0.)
C=1.
ENDIF
IF(ISPHER.EQ.0) GOTO 40
IF(INTER.EQ.0) BLMU=CMPLX(D(M,0,L))
IF(MU.GT.0) THEN
C=B*FLOAT(L+L+1)/EXPF(MU,L)
ALMU=(D(M,MU,L)*CEXP((0.,-1.)*MU*GAMMA)+B*
* CEXP((0.,1.)*MU*GAMMA)*D(M,-MU,L))/BLMU
ELSE
C=1.
ALMU=CMPLX(D(M,0,L))/BLMU
ENDIF
40 SNU=(0.,0.)
NU1=INT(0.5*(NO1-MU)+0.0001)
NUMAX=MIN0(NU1,L-MU)
DO 20 NU=0,NUMAX
SLP=(0.,0.)
LPMIN=MAX0(MU,NU)
DO 30 LP=LPMIN,LMAX(JAT,JE)
IF(ISPHER.EQ.1) THEN
HLM1=HLM(NU,LP)
IF(RJK.GT.0.0001) HLM3=HLN(0,LP)
ENDIF
SLP=SLP+FLOAT(2*LP+1)*TL(LP,1,JAT,JE)*HLM1*PLMM(LP,MU)*HLM3
30 CONTINUE
IF(ISPHER.EQ.1) THEN
HLM2=HLM(MU+NU,L)
ENDIF
SNU=SNU+SLP*HLM2
20 CONTINUE
SMU=SMU+SNU*C*ALMU*A*B
10 CONTINUE
FSPH=SMU/(VKE*HLM4)
C
RETURN
C
END

106
src/msspec/spec/fortran/phd_ce_noso_nosp_nosym/plotfd.f Normal file
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C
C=======================================================================
C
SUBROUTINE PLOTFD(A,LMX,ITL,NL,NAT,NE)
C
C This routine prepares the output for a plot of the scattering factor
C
USE DIM_MOD
C
USE APPROX_MOD
USE FDIF_MOD
USE INIT_L_MOD , L => LI, I2 => INITL, I3 => NNL, I4 => LF1, I5 =>
& LF2, I10 => ISTEP_LF
USE INIT_J_MOD
USE OUTFILES_MOD
USE OUTUNITS_MOD
USE PARCAL_MOD , N3 => NPHI, N4 => NE, N5 => NTHETA, N6 => NEPS
USE TYPCAL_MOD , I7 => IFTHET, I8 => IMOD, I9 => IPOL, I12 => I_CP
&, I13 => I_EXT, I14 => I_TEST
USE VALIN_MOD , U1 => THLUM, U2 => PHILUM, U3 => ELUM, N7 => NONVO
&L
USE VALFIN_MOD
C
C
C
DIMENSION LMX(NATM,NE_M)
C
COMPLEX FSPH,VKE
C
C
C
DATA PI,CONV/3.141593,0.512314/
C
OPEN(UNIT=IUO3, FILE=OUTFILE3, STATUS='UNKNOWN')
IF(ISPHER.EQ.0) THEN
L=0
LMAX=0
ELSE
LMAX=L
ENDIF
PHITOT=360.
THTOT=360.*ITHETA*(1-IPHI)+180.*ITHETA*IPHI
NPHI=(NFTHET+1)*IPHI+(1-IPHI)
NTHT=(NFTHET+1)*ITHETA*(1-IPHI)+(NFTHET/2+1)*ITHETA*IPHI+
* (1-ITHETA)
NE=NFTHET*IE + (1-IE)
WRITE(IUO3,1) ISPHER,NL,NAT,L,NTHT,NPHI,NE,E0,EFIN
DO 10 JT=1,NTHT
DTHETA=THETA1+FLOAT(JT-1)*THTOT/FLOAT(MAX0(NTHT-1,1))
RTHETA=DTHETA*PI/180.
TEST=SIN(RTHETA)
IF(TEST.GE.0.) THEN
POZ=PI
EPS=1.
ELSE
POZ=0.
EPS=-1.
ENDIF
BETA=RTHETA*EPS
IF(ABS(TEST).LT.0.0001) THEN
NPHIM=1
ELSE
NPHIM=NPHI
ENDIF
DO 20 JP=1,NPHIM
DPHI=PHI1+FLOAT(JP-1)*PHITOT/FLOAT(MAX0(NPHI-1,1))
RPHI=DPHI*PI/180.
GAMMA=POZ-RPHI
DO 30 JE=1,NE
IF(NE.EQ.1) THEN
ECIN=E0
ELSE
ECIN=E0+FLOAT(JE-1)*(EFIN-E0)/FLOAT(NE-1)
ENDIF
IF(ITL.EQ.0) VKE=SQRT(ECIN-ABS(VINT))*CONV*A*(1.,0.)
DO 40 JAT=1,NAT
IF(L.GT.LMX(JAT,JE)) GOTO 90
DO 50 M=-LMAX,LMAX
CALL FACDIF1(VKE,R1,R2,THETA0,PHI0,BETA,GAMMA,L,M,FSPH,J
&AT,JE,*60)
GOTO 70
60 WRITE(IUO1,80)
STOP
70 REFTH=REAL(FSPH)
XIMFTH=AIMAG(FSPH)
WRITE(IUO3,5) JE,JAT,L,M,REFTH,XIMFTH,DTHETA,DPHI,ECIN
50 CONTINUE
GOTO 40
90 WRITE(IUO1,100) JAT
STOP
40 CONTINUE
30 CONTINUE
20 CONTINUE
10 CONTINUE
CLOSE(IUO3)
1 FORMAT(5X,I1,2X,I2,2X,I4,2X,I2,2X,I3,2X,I3,2X,I3,2X,F8.2,2X,F8.2)
5 FORMAT(1X,I3,1X,I4,1X,I2,1X,I3,1X,F6.3,1X,F6.3,1X,F6.2,1X,F6.2,1X,
&F8.2)
80 FORMAT(15X,'<<<<< WRONG VALUE OF THETA0 : THE DENOMINATOR ','IS Z
&ERO >>>>>')
100 FORMAT(15X,'<<<<< THE VALUE OF L EST IS TOO LARGE FOR ATOM',' : '
&,I2,' >>>>>')
C
RETURN
C
END

335
src/msspec/spec/fortran/phd_ce_noso_nosp_nosym/weight_sum.f Normal file
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C
C=======================================================================
C
SUBROUTINE WEIGHT_SUM(ISOM,I_EXT,I_EXT_A,JEL)
C
C This subroutine performs a weighted sum of the results
C corresponding to different directions of the detector.
C The directions and weights are read from an external input file
C
C JEL is the electron undetected (i.e. for which the outgoing
C directions are integrated over the unit sphere). It is always
C 1 for one electron spectroscopies (PHD). For APECS, It can be
C 1 (photoelectron) or 2 (Auger electron) or even 0 (no electron
C detected)
C
C Last modified : 31 Jan 2007
C
USE DIM_MOD
USE INFILES_MOD
USE INUNITS_MOD
USE OUTUNITS_MOD
C
C
PARAMETER(N_MAX=5810,NPM=20)
C
REAL*4 W(N_MAX),W_A(N_MAX),ECIN(NE_M)
REAL*4 DTHETA(N_MAX),DPHI(N_MAX),DTHETAA(N_MAX),DPHIA(N_MAX)
REAL*4 SR_1,SF_1,SR_2,SF_2
REAL*4 SUMR_1(NPM,NE_M,N_MAX),SUMR_2(NPM,NE_M,N_MAX)
REAL*4 SUMF_1(NPM,NE_M,N_MAX),SUMF_2(NPM,NE_M,N_MAX)
C
CHARACTER*3 SPECTRO,SPECTRO2
CHARACTER*5 LIKE
CHARACTER*13 OUTDATA
C
C
C
C
DATA JVOL,JTOT/0,-1/
DATA LIKE /'-like'/
C
REWIND IUO2
C
READ(IUO2,15) SPECTRO,OUTDATA
IF(SPECTRO.NE.'APC') THEN
READ(IUO2,9) ISPIN,IDICHR,I_SO,ISFLIP,ICHKDIR,IPHI,ITHETA,IE
READ(IUO2,8) NPHI,NTHETA,NE,NPLAN,ISOM
SPECTRO2='XAS'
ELSE
READ(IUO2,9) ISPIN,IDICHR,I_SO,ISFLIP,ICHKDIR,IPHI,ITHETA,IE
READ(IUO2,9) ISPIN_A,IDICHR_A,I_SO_A,ISFLIP_A,ICHKDIR_A,IPHI_A,I
&THETA_A,IE_A
READ(IUO2,8) NPHI,NTHETA,NE,NPLAN,ISOM
READ(IUO2,8) NPHI_A,NTHETA_A
IF(JEL.EQ.1) THEN
SPECTRO2='AED'
ELSEIF(JEL.EQ.2) THEN
SPECTRO2='PHD'
ELSEIF(JEL.EQ.0) THEN
SPECTRO2='XAS'
ENDIF
ENDIF
C
IF(NPLAN.GT.NPM) THEN
WRITE(IUO1,4) NPLAN+2
STOP
ENDIF
C
C Reading the number of angular points
C
IF(SPECTRO.NE.'APC') THEN
OPEN(UNIT=IUI6, FILE=INFILE6, STATUS='OLD')
READ(IUI6,1) N_POINTS
READ(IUI6,5) I_DIM,N_DUM1,N_DUM2
N_POINTS_A=1
ELSE
IF(JEL.EQ.1) THEN
OPEN(UNIT=IUI6, FILE=INFILE6, STATUS='OLD')
READ(IUI6,1) N_POINTS
READ(IUI6,5) I_DIM,N_DUM1,N_DUM2
IF(I_EXT_A.EQ.0) THEN
N_POINTS_A=NTHETA_A*NPHI_A
ELSE
OPEN(UNIT=IUI9, FILE=INFILE9, STATUS='OLD')
READ(IUI9,1) N_POINTS_A
READ(IUI9,5) I_DIM,N_DUM1,N_DUM2
ENDIF
NTHETA0=NTHETA_A
NPHI0=NPHI_A
ELSEIF(JEL.EQ.2) THEN
OPEN(UNIT=IUI9, FILE=INFILE9, STATUS='OLD')
READ(IUI9,1) N_POINTS_A
READ(IUI9,5) I_DIM,N_DUM1,N_DUM2
IF(I_EXT.EQ.0) THEN
N_POINTS=NTHETA*NPHI
ELSE
OPEN(UNIT=IUI6, FILE=INFILE6, STATUS='OLD')
READ(IUI6,1) N_POINTS
READ(IUI6,5) I_DIM,N_DUM1,N_DUM2
ENDIF
NTHETA0=NTHETA
NPHI0=NPHI
ELSEIF(JEL.EQ.0) THEN
OPEN(UNIT=IUI6, FILE=INFILE6, STATUS='OLD')
OPEN(UNIT=IUI9, FILE=INFILE9, STATUS='OLD')
READ(IUI6,1) N_POINTS
READ(IUI9,1) N_POINTS_A
READ(IUI6,5) I_DIM,N_DUM1,N_DUM2
READ(IUI9,5) I_DIM,N_DUM1,N_DUM2
ENDIF
ENDIF
C
IF(SPECTRO.NE.'APC') THEN
NANGLE=1
ELSE
IF(JEL.EQ.1) THEN
NANGLE=N_POINTS_A
ELSEIF(JEL.EQ.2) THEN
NANGLE=N_POINTS
ELSEIF(JEL.EQ.0) THEN
NANGLE=1
ENDIF
ENDIF
C
C Initialization of the arrays
C
DO JE=1,NE
DO JANGLE=1,NANGLE
DO JPLAN=1,NPLAN+2
SUMR_1(JPLAN,JE,JANGLE)=0.
SUMF_1(JPLAN,JE,JANGLE)=0.
IF(IDICHR.GT.0) THEN
SUMR_2(JPLAN,JE,JANGLE)=0.
SUMF_2(JPLAN,JE,JANGLE)=0.
ENDIF
ENDDO
ENDDO
ENDDO
C
C Reading of the data to be angle integrated
C
DO JE=1,NE
C
DO JANGLE=1,N_POINTS
IF(I_EXT.NE.0) READ(IUI6,2) TH,PH,W(JANGLE)
DO JANGLE_A=1,N_POINTS_A
IF((I_EXT_A.NE.0).AND.(JANGLE.EQ.1)) THEN
READ(IUI9,2) THA,PHA,W_A(JANGLE_A)
ENDIF
C
DO JPLAN=1,NPLAN+2
C
IF(IDICHR.EQ.0) THEN
IF(SPECTRO.NE.'APC') THEN
READ(IUO2,3) JDUM,DTHETA(JANGLE),DPHI(JANGLE),ECIN(JE)
&,SR_1,SF_1
ELSE
READ(IUO2,13) JDUM,DTHETA(JANGLE),DPHI(JANGLE),ECIN(JE
&),DTHETAA(JANGLE_A),DPHIA(JANGLE_A),SR_1,SF_1
ENDIF
ELSE
IF(SPECTRO.NE.'APC') THEN
READ(IUO2,23) JDUM,DTHETA(JANGLE),DPHI(JANGLE),ECIN(JE
&),SR_1,SF_1,SR_2,SF_2
ELSE
READ(IUO2,24) JDUM,DTHETA(JANGLE),DPHI(JANGLE),ECIN(JE
&),DTHETAA(JANGLE_A),DPHIA(JANGLE_A),SR_1,SF_1,SR_2,SF_2
ENDIF
ENDIF
C
IF(JEL.EQ.1) THEN
SUMR_1(JPLAN,JE,JANGLE_A)=SUMR_1(JPLAN,JE,JANGLE_A)+SR_1
&*W(JANGLE)
SUMF_1(JPLAN,JE,JANGLE_A)=SUMF_1(JPLAN,JE,JANGLE_A)+SF_1
&*W(JANGLE)
ELSEIF(JEL.EQ.2) THEN
SUMR_1(JPLAN,JE,JANGLE)=SUMR_1(JPLAN,JE,JANGLE)+SR_1*W_A
&(JANGLE_A)
SUMF_1(JPLAN,JE,JANGLE)=SUMF_1(JPLAN,JE,JANGLE)+SF_1*W_A
&(JANGLE_A)
ELSEIF(JEL.EQ.0) THEN
SUMR_1(JPLAN,JE,1)=SUMR_1(JPLAN,JE,1)+SR_1*W(JANGLE)*W_A
&(JANGLE_A)
SUMF_1(JPLAN,JE,1)=SUMF_1(JPLAN,JE,1)+SF_1*W(JANGLE)*W_A
&(JANGLE_A)
ENDIF
IF(IDICHR.GT.0) THEN
IF(JEL.EQ.1) THEN
SUMR_2(JPLAN,JE,JANGLE_A)=SUMR_2(JPLAN,JE,JANGLE_A)+SR
&_2*W(JANGLE)
SUMF_2(JPLAN,JE,JANGLE_A)=SUMF_2(JPLAN,JE,JANGLE_A)+SF
&_2*W(JANGLE)
ELSEIF(JEL.EQ.2) THEN
SUMR_2(JPLAN,JE,JANGLE)=SUMR_2(JPLAN,JE,JANGLE)+SR_2*W
&_A(JANGLE_A)
SUMF_2(JPLAN,JE,JANGLE)=SUMF_2(JPLAN,JE,JANGLE)+SF_2*W
&_A(JANGLE_A)
ELSEIF(JEL.EQ.0) THEN
SUMR_2(JPLAN,JE,1)=SUMR_2(JPLAN,JE,1)+SR_2*W(JANGLE)*W
&_A(JANGLE_A)
SUMF_2(JPLAN,JE,1)=SUMF_2(JPLAN,JE,1)+SF_2*W(JANGLE)*W
&_A(JANGLE_A)
ENDIF
ENDIF
C
ENDDO
C
ENDDO
IF(I_EXT_A.NE.0) THEN
REWIND IUI9
READ(IUI9,1) NDUM
READ(IUI9,1) NDUM
ENDIF
ENDDO
C
IF(I_EXT.NE.0) THEN
REWIND IUI6
READ(IUI6,1) NDUM
READ(IUI6,1) NDUM
ENDIF
ENDDO
C
CLOSE(IUI6)
CLOSE(IUI9)
REWIND IUO2
C
WRITE(IUO2,16) SPECTRO2,LIKE,SPECTRO,OUTDATA
IF((SPECTRO.NE.'APC').OR.(JEL.EQ.0)) THEN
WRITE(IUO2,19) ISPIN,IDICHR,I_SO,ISFLIP
WRITE(IUO2,18) NE,NPLAN,ISOM
ELSEIF(JEL.EQ.1) THEN
WRITE(IUO2,20) ISPIN_A,IDICHR_A,I_SO_A,ISFLIP_A,ICHKDIR_A,IPHI_A
&,ITHETA_A,IE_A
WRITE(IUO2,21) NPHI0,NTHETA0,NE,NPLAN,ISOM
ELSEIF(JEL.EQ.2) THEN
WRITE(IUO2,20) ISPIN,IDICHR,I_SO,ISFLIP,ICHKDIR,IPHI,ITHETA,IE
WRITE(IUO2,21) NPHI0,NTHETA0,NE,NPLAN,ISOM
ENDIF
C
DO JE=1,NE
DO JANGLE=1,NANGLE
IF(SPECTRO.EQ.'APC') THEN
IF(JEL.EQ.1) THEN
THETA=DTHETAA(JANGLE)
PHI=DPHIA(JANGLE)
ELSEIF(JEL.EQ.2) THEN
THETA=DTHETA(JANGLE)
PHI=DPHI(JANGLE)
ENDIF
ENDIF
C
DO JPLAN=1,NPLAN
IF(IDICHR.EQ.0) THEN
IF((SPECTRO.NE.'APC').OR.(JEL.EQ.0)) THEN
WRITE(IUO2,33) JPLAN,ECIN(JE),SUMR_1(JPLAN,JE,JANGLE),SU
&MF_1(JPLAN,JE,JANGLE)
ELSE
WRITE(IUO2,34) JPLAN,THETA,PHI,ECIN(JE),SUMR_1(JPLAN,JE,
&JANGLE),SUMF_1(JPLAN,JE,JANGLE)
ENDIF
ELSE
IF((SPECTRO.NE.'APC').OR.(JEL.EQ.0)) THEN
WRITE(IUO2,43) JPLAN,ECIN(JE),SUMR_1(JPLAN,JE,JANGLE),SU
&MF_1(JPLAN,JE,JANGLE),SUMR_2(JPLAN,JE,JANGLE),SUMF_2(JPLAN,JE,JANG
&LE)
ELSE
WRITE(IUO2,44) JPLAN,THETA,PHI,ECIN(JE),SUMR_1(JPLAN,JE,
&JANGLE),SUMF_1(JPLAN,JE,JANGLE),SUMR_2(JPLAN,JE,JANGLE),SUMF_2(JPL
&AN,JE,JANGLE)
ENDIF
ENDIF
ENDDO
C
IF(IDICHR.EQ.0) THEN
IF((SPECTRO.NE.'APC').OR.(JEL.EQ.0)) THEN
WRITE(IUO2,33) JVOL,ECIN(JE),SUMR_1(NPLAN+1,JE,JANGLE),SUM
&F_1(NPLAN+1,JE,JANGLE)
WRITE(IUO2,33) JTOT,ECIN(JE),SUMR_1(NPLAN+2,JE,JANGLE),SUM
&F_1(NPLAN+2,JE,JANGLE)
ELSE
WRITE(IUO2,34) JVOL,THETA,PHI,ECIN(JE),SUMR_1(NPLAN+1,JE,J
&ANGLE),SUMF_1(NPLAN+1,JE,JANGLE)
WRITE(IUO2,34) JTOT,THETA,PHI,ECIN(JE),SUMR_1(NPLAN+2,JE,J
&ANGLE),SUMF_1(NPLAN+2,JE,JANGLE)
ENDIF
ELSE
IF((SPECTRO.NE.'APC').OR.(JEL.EQ.0)) THEN
WRITE(IUO2,43) JVOL,ECIN(JE),SUMR_1(NPLAN+1,JE,JANGLE),SUM
&F_1(NPLAN+1,JE,JANGLE),SUMR_2(NPLAN+1,JE,JANGLE),SUMF_2(NPLAN+1,JE
&,JANGLE)
WRITE(IUO2,43) JTOT,ECIN(JE),SUMR_1(NPLAN+2,JE,JANGLE),SUM
&F_1(NPLAN+2,JE,JANGLE),SUMR_2(NPLAN+2,JE,JANGLE),SUMF_2(NPLAN+2,JE
&,JANGLE)
ELSE
WRITE(IUO2,44) JVOL,THETA,PHI,ECIN(JE),SUMR_1(NPLAN+1,JE,J
&ANGLE),SUMF_1(NPLAN+1,JE,JANGLE),SUMR_2(NPLAN+1,JE,JANGLE),SUMF_2(
&NPLAN+1,JE,JANGLE)
WRITE(IUO2,44) JTOT,THETA,PHI,ECIN(JE),SUMR_1(NPLAN+2,JE,J
&ANGLE),SUMF_1(NPLAN+2,JE,JANGLE),SUMR_2(NPLAN+2,JE,JANGLE),SUMF_2(
&NPLAN+2,JE,JANGLE)
ENDIF
ENDIF
C
ENDDO
ENDDO
C
1 FORMAT(13X,I4)
2 FORMAT(15X,F8.3,3X,F8.3,3X,E12.6)
3 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,E12.6,2X,E12.6)
4 FORMAT(//,8X,'<<<<<<<<<< DIMENSION OF THE ARRAYS TOO SMALL ','IN
&THE WEIGHT_SUM SUBROUTINE - INCREASE NPM TO ',I3,'>>>>>>>>>>')
5 FORMAT(6X,I1,1X,I3,3X,I3)
8 FORMAT(I4,2X,I4,2X,I4,2X,I3,2X,I1)
9 FORMAT(9(2X,I1),2X,I2)
13 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,F6.2,2X,F6.2,2X,E12.6,2X,E
&12.6)
15 FORMAT(2X,A3,11X,A13)
16 FORMAT(2X,A3,A5,1X,A3,2X,A13)
18 FORMAT(I4,2X,I3,2X,I1)
19 FORMAT(4(2X,I1))
20 FORMAT(8(2X,I1))
21 FORMAT(I4,2X,I4,2X,I4,2X,I3,2X,I1)
23 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,E12.6,2X,E12.6,2X,E12.6,2X
&,E12.6)
24 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,F6.2,2X,F6.2,2X,E12.6,2X,E
&12.6,2X,E12.6,2X,E12.6)
33 FORMAT(2X,I3,2X,F8.2,2X,E12.6,2X,E12.6)
34 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,E12.6,2X,E12.6)
43 FORMAT(2X,I3,2X,F8.2,2X,E12.6,2X,E12.6,2X,E12.6,2X,E12.6)
44 FORMAT(2X,I3,2X,F6.2,2X,F6.2,2X,F8.2,2X,E12.6,2X,E12.6,2X,E12.6,2X
&,E12.6)
C
RETURN
C
END