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Jul2-12, 10:20 PM   #18
 

Fortran Question

I found the problem.
 
Jul2-12, 10:35 PM   #19
 
Mentor
What was it?
 
Jul2-12, 10:51 PM   #20
 
I dont know why but i changed just the first lines (DIMENSION) and the program worked.
Then i did some little changes like "DO M = NZ, 2" to "DO M = 2,NZ"

The complete code:
Code:
      PROGRAM ABCDE


      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501,L=2) !Define parametros
!

      REAL, DIMENSION(L,L) :: D1
      REAL, DIMENSION(L,L) :: P
      REAL, DIMENSION(L,L) :: D
      REAL, DIMENSION(L,L) :: Q
      REAL, DIMENSION(NZ) :: X
      REAL, DIMENSION(NZ) :: Y
      REAL, DIMENSION(NZ) :: V
      COMPLEX, DIMENSION(NZ) :: CW
      COMPLEX, DIMENSION(L,L) :: CKP
      COMPLEX, DIMENSION(L,L) :: CTRANSM
      COMPLEX, DIMENSION(L,L) :: CT
      COMPLEX, DIMENSION(2,2) :: CKJ
      COMPLEX, DIMENSION(2,2) :: CKT



      !OPEN(UNIT=12,FILE='ENERGY.DAT',FORM='FORMATTED')
      !OPEN(UNIT=13,FILE='PSI0.DAT',FORM='FORMATTED')
      !OPEN(UNIT=14,FILE='PSI.DAT',FORM='FORMATTED')

!
!
!307   FORMAT(86(2X,E14.7))
!308   FORMAT(I5,86(2X,E14.7))
       AM = 0.067D0 !Massa efetiva do e- (GaAs)
       EPS = 12.5D0 !Constante dielétrica (GaAs)
       RY = 13.6058D3 * AM / EPS / EPS
       A0 = 0.5292D0 * EPS / AM
       PI = 4.D0 * DATAN(1.D0)
       CZ = (0.D0,1.D0)

      WRITE(*,*)'INSIRA ENERGIA DA PARTICULA INCIDENTE (meV)=' !Insere variável
      READ(*,*) E1
      E = E1/RY


!      WRITE(*,*)'INSIRA A MASSA DA PARTICULA INCIDENTE=' !Insere variável
!      READ(*,*) MASSA

      WRITE(*,*)'INSIRA O COMPRIMENTO=' !Insere variável
      READ(*,*) ALF
      AL = ALF/A0


      CALL MESH (DZ,Z)

      CALL POTE(A0,RY,AL,Z,V)
      KB = DSQRT(E-V(2)) !COMEÇA NO 3 OU NO 2?

      DO M=3,NZ
      K2 = DSQRT(E-V(M))
      DM = K2/KB
      C = CDEXP(CZ*K2*DZ)

      CW(M) = C
      X(M) = (1 + DM)/2
      Y(M) = (1 - DM)/2
      KB = K2
      ENDDO


     D1 (1,1) = X(1)
     D1 (2,1) = Y(1)
     D1 (1,2) = Y(1)
     D1 (2,2) = X(1)

     CALL CALCM(X,Y,CW,CKJ)

    CKT(1,1)= D(1,1)*CKJ(1,1)+D(1,2)*CKJ(2,1)
    !CKT(1,2)
    CKT(2,1) = D(2,1)*CKJ(1,1)+D(2,2)*CKJ(2,1)
    !CKT(2,2)
     !CKY(1,1,M) = D(1,1)*CP(1,1)+D(1,2)*P(2,1)
      !KY(1,2,M) = D(1,1)*P(1,2)+D(1,2)*P(2,2)
      !KY(2,1,M) = D(2,1)*P(1,1)+D(2,2)*P(2,1)
      !KY(2,2,M) = D(2,1)*P(1,2)+D(2,2)*P(2,2)


    !CKT(2,1) = CT1
     !CKT(1,1) = CT2

!ESCREVER DESSE JEITO DA CERTO?

    CEFICIENCIA = 1 - (DABS(CKT(2,1))**2)/DABS(CKT(1,1))**2

    WRITE(*,*) CEFICIENCIA



     END PROGRAM ABCDE




!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE CALCM(X,Y,CW,CKJ)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501)
      !DIMENSION
      !COMPLEX (8) CKY(2,2), CKW(L,L,NZ), CKJ (L,L,NZ)
      COMPLEX, DIMENSION(2,2,NZ) :: CKY
      COMPLEX, DIMENSION(2,2) :: CKW
      COMPLEX, DIMENSION(2,2) :: CKJ

!faz o D*P para todos as barreiras D2*P2, D3*P3..
      DO M = 2,NZ

      CKY(1,1,M) = X(M)*CW(M)
      CKY(1,2,M) = Y(M)*DCONJG(CW(M))
      CKY(2,1,M) = Y(M)*CW(M)
      CKY(2,2,M) = X(M)*DCONJG(CW(M))

      ENDDO
!faz a primeira multiplicação de trás pra frente (D500*P500)*(D501*P501)
      CKW(1,1) = CKY(1,1,2)*CKY(1,1,3) + CKY(1,2,2)*CKY(2,1,3)
      CKW(1,2) = CKY(1,1,2)*CKY(1,2,3) + CKY(1,2,2)*CKY(2,2,3)
      CKW(2,1) = CKY(2,1,2)*CKY(1,1,3) + CKY(2,2,2)*CKY(2,1,3)
      CKW(2,2) = CKY(2,1,2)*CKY(1,2,3) + CKY(2,2,2)*CKY(2,2,3)

      DO M = 4,NZ

      !CKJ = CKY(M)*CKW
      CKJ(1,1) = CKW(1,1)*CKY(1,1,M) + CKW(1,2)*CKY(2,1,M)
      CKJ(1,2) = CKW(1,1)*CKY(1,2,M) + CKW(1,2)*CKY(2,2,M)
      CKJ(2,1) = CKW(2,1)*CKY(1,1,M) + CKW(2,2)*CKY(2,1,M)
      CKJ(2,2) = CKW(2,1)*CKY(1,2,M) + CKW(2,2)*CKY(2,2,M)
      !CKW = CKJ

      CKW(1,1) = CKJ(1,1)
      CKW(1,2) = CKJ(1,2)
      CKW(2,1) = CKJ(2,1)
      CKW(2,2) = CKJ(2,2)


      !D(1,1) = X(M)
      !D(2,1) = Y(M)
      !D(1,2) = Y(M)
      !D(2,2) = X(M)

      !CP(1,1) = CW(M)
      !CP(2,1) = (0.D0,0.D0)
      !CP(1,2) = (0.D0,0.D0)
      !CP(2,2) = DCONJG(CW(M))

      !CKY(1,1,M) = D(1,1)*CP(1,1)+D(1,2)*P(2,1)
      !KY(1,2,M) = D(1,1)*P(1,2)+D(1,2)*P(2,2)
      !KY(2,1,M) = D(2,1)*P(1,1)+D(2,2)*P(2,1)
      !KY(2,2,M) = D(2,1)*P(1,2)+D(2,2)*P(2,2)




      ENDDO


      RETURN
      END  SUBROUTINE CALCM

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      SUBROUTINE MESH(AL,Z)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ)
!
      DZ = AL/(NZ-1)
      DO I=1,NZ
      Z(I) = DFLOAT(I-1) * DZ
      ENDDO
 !
      RETURN
      END  SUBROUTINE MESH

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE POTE(A0,RY,AL,Z,POTF) !**********

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ), POTF(NZ)

        ALH = 0.5D0 * AL  !MEIO DO SISTEMA
        DQW = 20.D0 / A0   ! DISTANCIA ENTRE POCOS
        DQWH = 0.5D0 * DQW
        QW = 100.D0 / A0   ! LARGURA DOS POCOS
        QWH = 0.5D0 * QW
        AT = DQWH + QW

        DO IZ=1,NZ
        ZW = Z(IZ) - ALH
        POTF(IZ) = 0.D0
        IF(DABS(ZW).GT.DQWH.AND.DABS(ZW).LT.AT)  POTF(IZ) = 400.D0/RY
        ENDDO
 !
      RETURN
      END  SUBROUTINE POTE
There's some "warnings" but i will fix tomorrow with my teacher, i think isn't a big problem.
 
Jul3-12, 01:50 PM   #21
 
There is no errors anymore but when i run the program asking for print CEF appears NaN (not a number), i dont know what to do

Code:
      PROGRAM ABCDE


      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501,L=2) !Define parametros
      DIMENSION Z(NZ), X(NZ), Y(NZ), V(NZ), D1(L,L), P(L,L), D(L,L)
      DIMENSION Q(L,L)
      COMPLEX (8) CW(NZ), CKP(L,L), CKJ (L,L)
!
      !OPEN(UNIT=12,FILE='ENERGY.DAT',FORM='FORMATTED')
      !OPEN(UNIT=13,FILE='PSI0.DAT',FORM='FORMATTED')
      OPEN(UNIT=14,FILE='POT.DAT',FORM='FORMATTED')
!
!
!307   FORMAT(86(2X,E14.7))
!308   FORMAT(I5,86(2X,E14.7))
       AM = 0.067D0 !Massa efetiva do e- (GaAs)
       EPS = 12.5D0 !Constante dielétrica (GaAs)
       RY = 13.6058D3 * AM / EPS / EPS
       A0 = 0.5292D0 * EPS / AM
       PI = 4.D0 * DATAN(1.D0)
       CZ = (0.D0,1.D0)

      WRITE(*,*)'INSIRA ENERGIA DA PARTICULA INCIDENTE (meV)=' !Insere variável
      READ(*,*) E1
      E = E1/RY

!      WRITE(*,*)'INSIRA A MASSA DA PARTICULA INCIDENTE=' !Insere variável
!      READ(*,*) MASSA

      WRITE(*,*)'INSIRA O COMPRIMENTO=' !Insere variável
      READ(*,*) ALF
      AL = ALF/A0

      CALL MESH(AL,Z)

      CALL POTE(A0,RY,AL,Z,V)
      KB = DSQRT(E-V(2)) !COMEÇA NO 3 OU NO 2?

      DO M=3,NZ
       K2 = DSQRT(E-V(M))
       DM = K2/KB
       C = CDEXP(CZ*K2*DZ)

       CW(M) = C
       X(M) = (1.D0 + DM)/2.D0
       Y(M) = (1.D0 - DM)/2.D0
       KB = K2
      ENDDO

      D1 (1,1) = X(1)
      D1 (2,1) = Y(1)
      D1 (1,2) = Y(1)
      D1 (2,2) = X(1)

      CALL CALCM(X,Y,CW,CKJ)

      CKT11= D1(1,1)*CKJ(1,1)+D1(1,2)*CKJ(2,1)
      !CKT(1,2)
      CKT21 = D1(2,1)*CKJ(1,1)+D1(2,2)*CKJ(2,1)
      !CKT(2,2)

      !CKY(1,1,M) = D(1,1)*CP(1,1)+D(1,2)*P(2,1)
      !KY(1,2,M) = D(1,1)*P(1,2)+D(1,2)*P(2,2)
      !KY(2,1,M) = D(2,1)*P(1,1)+D(2,2)*P(2,1)
      !KY(2,2,M) = D(2,1)*P(1,2)+D(2,2)*P(2,2)

      !CKT(2,1) = CT1
      !CKT(1,1) = CT2

!ESCREVER DESSE JEITO DA CERTO?

      CEF = 1.D0 - (CDABS(CKT21))**2/(CDABS(CKT11))**2

      WRITE(*,*) CEF

      END PROGRAM ABCDE


!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE CALCM(X,Y,CW,CKJ)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501, L=2)
      DIMENSION Z(NZ), X(NZ), Y(NZ), V(NZ)
      !DIMENSION
      COMPLEX (8) CW(NZ), CKW(L,L), CKJ (L,L), CKY(L,L,NZ)


!faz o D*P para todos as barreiras D2*P2, D3*P3..
      DO M = 2,NZ
       CKY(1,1,M) = X(M)*CW(M)
       CKY(1,2,M) = Y(M)*DCONJG(CW(M))
       CKY(2,1,M) = Y(M)*CW(M)
       CKY(2,2,M) = X(M)*DCONJG(CW(M))
      ENDDO
!faz a primeira multiplicação de trás pra frente (D500*P500)*(D501*P501)
      CKW(1,1) = CKY(1,1,2)*CKY(1,1,3) + CKY(1,2,2)*CKY(2,1,3)
      CKW(1,2) = CKY(1,1,2)*CKY(1,2,3) + CKY(1,2,2)*CKY(2,2,3)
      CKW(2,1) = CKY(2,1,2)*CKY(1,1,3) + CKY(2,2,2)*CKY(2,1,3)
      CKW(2,2) = CKY(2,1,2)*CKY(1,2,3) + CKY(2,2,2)*CKY(2,2,3)

      DO M = 4,NZ
      !CKJ = CKY(M)*CKW
       CKJ(1,1) = CKW(1,1)*CKY(1,1,M) + CKW(1,2)*CKY(2,1,M)
       CKJ(1,2) = CKW(1,1)*CKY(1,2,M) + CKW(1,2)*CKY(2,2,M)
       CKJ(2,1) = CKW(2,1)*CKY(1,1,M) + CKW(2,2)*CKY(2,1,M)
       CKJ(2,2) = CKW(2,1)*CKY(1,2,M) + CKW(2,2)*CKY(2,2,M)
      !CKW = CKJ

      CKW(1,1) = CKJ(1,1)
      CKW(1,2) = CKJ(1,2)
      CKW(2,1) = CKJ(2,1)
      CKW(2,2) = CKJ(2,2)

      !D(1,1) = X(M)
      !D(2,1) = Y(M)
      !D(1,2) = Y(M)
      !D(2,2) = X(M)

      !CP(1,1) = CW(M)
      !CP(2,1) = (0.D0,0.D0)
      !CP(1,2) = (0.D0,0.D0)
      !CP(2,2) = DCONJG(CW(M))

      !CKY(1,1,M) = D(1,1)*CP(1,1)+D(1,2)*P(2,1)
      !KY(1,2,M) = D(1,1)*P(1,2)+D(1,2)*P(2,2)
      !KY(2,1,M) = D(2,1)*P(1,1)+D(2,2)*P(2,1)
      !KY(2,2,M) = D(2,1)*P(1,2)+D(2,2)*P(2,2)

      ENDDO


      RETURN
      END  SUBROUTINE CALCM

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      SUBROUTINE MESH(AL,Z)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ)
!
      DZ = AL/(NZ-1)
      DO I=1,NZ
      Z(I) = DFLOAT(I-1) * DZ
      ENDDO
 !
      RETURN
      END  SUBROUTINE MESH

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE POTE(A0,RY,AL,Z,V) !**********

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ), V(NZ)

        ALH = 0.5D0 * AL  !MEIO DO SISTEMA
        DQW = 50.D0 / A0   ! DISTANCIA ENTRE POCOS
        DQWH = 0.5D0 * DQW
        QW = 50.D0 / A0   ! LARGURA DOS POCOS
        QWH = 0.5D0 * QW
        AT = DQWH + QW

        DO IZ=1,NZ
        ZW = Z(IZ) - ALH
        V(IZ) = 0.D0
        IF(DABS(ZW).GT.DQWH.AND.DABS(ZW).LT.AT)  V(IZ) = 200.D0/RY
        WRITE(14,*) Z(IZ)*A0, V(IZ)*RY
        ENDDO
 !
      RETURN
      END  SUBROUTINE POTE
 
Jul10-12, 11:29 PM   #22
 
I would add write statements for the variables usedto compute cef and continue to backtrack from there. It may be that you forgot to initialize one of them properly. Also I would add write stmts to print the subroutine arguments as well I case they are not initialized as expected.

Its hard to diagnose a problem like this with only the program and not the input data nor compiler, system... used. Only you can do the diagnostics and figure this out. Backtrack thru your variables to see what's going on.
 
Jul11-12, 09:44 AM   #23
 
Yes, i did this and found the problem, i think.
It was some problems with complex numbers and definitions
I tried to fix with this IF, but wasn't work..
Code:
      CKB = DSQRT(E-V(2))

      !WRITE(*,*) CKB, V(2)*RY, E

      DO M=3,NZ
      IF (E.GT.V(M)) THEN
      K2 = DSQRT(E-V(M))
      CK2 = (DSQRT(E-V(M)),0.D0)
      END IF


      IF (V(M).GT.E) THEN
      K2 = DSQRT(V(M)-E)
      CK2 = (0.D0, DSQRT(V(M)-E)
      END IF


      CDM = CK2/CKB
      C = CDEXP(CZ*AK2*DZ)

      CW(M) = C !>>>> CW ESTA DANDO 1 SEMPRE / DZ NAO TERIA QUE TROCAR POR Z(IZ)?<<<<
        !WRITE(*,*)CW(M)
      X(M) = (1.D0 + CDM)/2.D0 !>>>>DA SEMPRE 1<<<<
        !WRITE(*,*) X(M)
      Y(M) = (1.D0 - CDM)/2.D0 !>>>>DA SEMPRE 0<<<<
        CKB = CK2

      ENDDO
This part "CKB = DSQRT(E-V(2))" will be a real number, so dont need a IF.

Code:
fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90|47|fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90 47 .26:|
||Error: Expected a right parenthesis in expression  |
fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90|53|fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90 53 .24:|
||Error: Expected PARAMETER symbol in complex constant  |
||=== Build finished: 2 errors, 0 warnings (0 minutes, 0 seconds) ===|
 
Jul11-12, 10:02 AM   #24
 
Dont you need to use ENDIF and not END IF for your IF stmts?

also you should use and ELSE clause instead of the second IF stmt since you're not covering the possiblity of E.eq.V(M) or you need to change one of the IF stmts with .ge. or .le. to cover the equals condition.
 
Jul11-12, 10:13 AM   #25
 
i trade to ENDIF and the erros keep on..
i use IF and ELSE now, when E.eq.V(M), K2 = 0 so i can use in the complex part (CK2 = 0.D0,K2 = 0.D0,0.D0)

I indicate the line with error in the code
Code:
      DO M=3,NZ

      IF (E.GT.V(M)) THEN
      K2 = DSQRT(E-V(M))
      CK2 = (K2,0.D0) !LINE 48

      ELSE
      K2 = DSQRT(V(M)-E)
      CK2 = (0.D0, K2) !LINE 52
      ENDIF


      CDM = CK2/CKB
      C = CDEXP(CZ*AK2*DZ)

      CW(M) = C
      !WRITE(*,*)CW(M)
      X(M) = (1.D0 + CDM)/2.D0
      !WRITE(*,*) X(M)
      Y(M) = (1.D0 - CDM)/2.D0
      CKB = CK2

      ENDDO
Code:
fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90|47|fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90 47 .15:|
||Error: Expected PARAMETER symbol in complex constant  |
fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90|51|fica\Programa Computacional\FORTRAN\Particula incidente em uma barreira\particula incidente em uma barreira FINAL.f90 51 .21:|
||Error: Expected PARAMETER symbol in complex constant  |
||=== Build finished: 2 errors, 0 warnings (0 minutes, 0 seconds) ===|
 
Jul11-12, 01:03 PM   #26
 
the only thing I can think of is that it wants K2 to be a constant meaning that it thinks CK2 is defined as a constant but I couldn't see that in your code.

I found a bugzilla report where it said if your lines of code are too long then you'll get this error and the fix was to set a compile flag.

http://gcc.gnu.org/bugzilla/show_bug.cgi?id=31594
 
Jul11-12, 04:04 PM   #27

Math 2012
 
Recognitions:
Science Advisor Science Advisor
I think you need to change CK2 = (K2,0.D0) to CK2 = CMPLX(K2,0.D0)

Also, what type of variable is K2? In your code it seems to be an integer, which is probably wrong.
 
Jul11-12, 10:44 PM   #28
 
Quote by AlephZero View Post
I think you need to change CK2 = (K2,0.D0) to CK2 = CMPLX(K2,0.D0)

Also, what type of variable is K2? In your code it seems to be an integer, which is probably wrong.
I trade K2 to AK2, because this line says that K is actually INTEGER:
IMPLICIT REAL (8) (A-B,D-H,O-Z)

And I add CMPLX and it works.
But why i need this?
In other line, I write: CZ = (0.D0,1.D0) for define complex number and it works fine..
 
Jul12-12, 11:32 AM   #29

Math 2012
 
Recognitions:
Science Advisor Science Advisor
Quote by felipearcaro View Post
And I add CMPLX and it works.
But why i need this?
In other line, I write: CZ = (0.D0,1.D0) for define complex number and it works fine..
The form ( ... , ... ) is a complex constant. The only things you can put in a constant are values that the complier can figure when it compiles the priogram, not when the program is running. That includes real and integer constant values like 123 or 0.0D0, and values defined in PARAMETER statements. Since "K2" looks more like a parameter name than a real or integer cosntant, the error message said "K2 is not a parameter".

CMPLX( ... , ... ) is an intinsic function, just like SQRT, MAX, etc. The two arguments can be any expressions that evaluate to real numbers. You could have said

Code:
IF (E.GT.V(M)) THEN
      CK2 = CMPLX(DSQRT(E-V(M)), 0.D0)
and not used the variable K2 at all.

Actually you could just say CK2 = DSQRT(E-V(M)) there, but you need CMPLX for the "ELSE" part of the code.
 
Jul12-12, 03:47 PM   #30
 
Thanks very much, i think my program is working fine now. I will be back soon with new questions.
This forum is awesome.
 
Aug8-12, 01:36 PM   #31
 
I'm almost finishing this program, there is only one problem and i think it's because the complex numbers.
When i run the program and plot the graph (with Origin), appears:


But the correct is:



The part with the complex numbers (where V>E(K)) is the problem i think, because when E>200, it works fine.

Code:
      PROGRAM ABCDE


      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501, L=2) !Define parametros
      DIMENSION Z(NZ), X(NZ), Y(NZ), V(NZ), D1(L,L), P(L,L), D(L,L), I(NZ)
      DIMENSION Q(L,L), E(NZ)
      COMPLEX (8) CW(NZ), CKP(L,L), CKJ (L,L), CX(NZ), CY(NZ)
!
      OPEN(UNIT=12,FILE='VALORES2.DAT',FORM='FORMATTED')
      OPEN(UNIT=13,FILE='VALORES.DAT',FORM='FORMATTED')
      OPEN(UNIT=14,FILE='POT.DAT',FORM='FORMATTED')
      OPEN(UNIT=15,FILE='GRAPH.DAT',FORM='FORMATTED')
!
!
307   FORMAT(86(2X,E14.7))
308   FORMAT(I5,86(2X,E14.7))
       AM = 0.067D0 !Massa efetiva do e- (GaAs)
       EPS = 12.5D0 !Constante dielétrica (GaAs)
       RY = 13.6058D3 * AM / EPS / EPS
       A0 = 0.5292D0 * EPS / AM
       PI = 4.D0 * DATAN(1.D0)
       CZ = (0.D0,1.D0) !Unidade complexa

      !WRITE(*,*)'INSIRA ENERGIA DA PARTICULA INCIDENTE (meV)=' !Entrada da energia da particula incidente
      !READ(*,*) E1
      !E = E1/RY

      WRITE(*,*)'INSIRA O COMPRIMENTO=' !Entrada do comprimento avaliado
      READ(*,*) ALF
      AL = ALF/A0


      DZ = AL/(NZ-1)

      CALL MESH(AL,DZ,Z) !Chama subrotina que fraciona o comprimento (em pedacos de tamanho dz)
      CALL POTE(A0,RY,AL,Z,V) !Chama subrotina que define o potencial em todo o comprimento

    !DO M=1,NZ
    !E(M)=M
    !WRITE(*,*) E(M)
    !ENDDO


      DO K=1,NZ !L=E1, pois a variavel precisava ser inteiro
      E(K)=K/RY

      CKB = DSQRT(E(K)-V(1))

      DO M=1,NZ

      IF (E(K).GT.V(M+1)) THEN
      AK2 = DSQRT(E(K)-V(M+1))
      CDM = AK2/CKB
      CKZ = CDEXP(CZ*CKB*DZ)
      CKB = AK2

      !WRITE(*,*) CK2

      ELSE
      CK2 = DSQRT(V(M+1)-E(K))*CZ
      CDM = CK2/CKB
      CKZ = CDEXP(CZ*CKB*DZ)
      CKB = CK2

      ENDIF
      !WRITE(*,*) CK2


      !WRITE(*,*) CMD

      !WRITE(*,*)  CKZ

      CW(M) = CKZ
      !WRITE(*,*)CW(M)
      CX(M) = (1.D0 + CDM)/2.D0
      !WRITE(*,*) CX(M)
      CY(M) = (1.D0 - CDM)/2.D0
      !WRITE(*,*) CY(M)



      ENDDO

      !WRITE(*,*) CKB, V(2)*RY, E



      !D1 (1,1) = X(1)
      !D1 (2,1) = Y(1)
      !D1 (1,2) = Y(1)
      !D1 (2,2) = X(1)

      CALL CALCM(CX,CY,CW,CKJ)

      CKT11= CX(1)*CKJ(1,1)+CY(1)*CKJ(2,1)

      !CKT(1,2)
      CKT21 = CY(1)*CKJ(1,1)+CX(1)*CKJ(2,1)
      !WRITE(*,*) CKT21
      !CKT(2,2)

      !CKY(1,1,M) = D(1,1)*CP(1,1)+D(1,2)*P(2,1)
      !KY(1,2,M) = D(1,1)*P(1,2)+D(1,2)*P(2,2)
      !KY(2,1,M) = D(2,1)*P(1,1)+D(2,2)*P(2,1)
      !KY(2,2,M) = D(2,1)*P(1,2)+D(2,2)*P(2,2)

      !CKT(2,1) = CT1
      !CKT(1,1) = CT2


      !Define a eficiencia
      ACF = 1.D0 - (CDABS(CKT21))**2/(CDABS(CKT11))**2
      !WRITE(*,*) CDABS(CKT21), CDABS(CKT11)


      WRITE (15,307) E(K)*RY, ACF
      ENDDO


      END PROGRAM ABCDE


!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE CALCM(CX,CY,CW,CKJ)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL (8) (A-B,D-H,O-Z) !Define numeros reais e imaginarios
      IMPLICIT COMPLEX (8)(C)
      PARAMETER(NZ=501, L=2)
      DIMENSION Z(NZ), V(NZ)
      !DIMENSION
      COMPLEX (8) CX(NZ), CY(NZ), CW(NZ), CKW(L,L), CKJ (L,L), CKY(L,L,NZ)


      !Faz D*P para todos as barreiras D2*P2, D3*P3..
      DO M = 1,NZ
       CKY(1,1,M) = DCONJG(CW(M))*CX(M)
       CKY(1,2,M) = DCONJG(CW(M))*CY(M)
       CKY(2,1,M) = CW(M)*CY(M)
       CKY(2,2,M) = CW(M)*CX(M)
       !WRITE(*,*) DCONJG(CW(M))

      ENDDO
      !Faz a primeira multiplicação para o loop [D2*P2].[D3*P3]
      CKW(1,1) = CKY(1,1,2)*CKY(1,1,3) + CKY(1,2,2)*CKY(2,1,3)
      CKW(1,2) = CKY(1,1,2)*CKY(1,2,3) + CKY(1,2,2)*CKY(2,2,3)
      CKW(2,1) = CKY(2,1,2)*CKY(1,1,3) + CKY(2,2,2)*CKY(2,1,3)
      CKW(2,2) = CKY(2,1,2)*CKY(1,2,3) + CKY(2,2,2)*CKY(2,2,3)
      !WRITE(*,*) CKW(1,1)

      !Faz o resto das mutiplicações usando o resultado da ultima como um fator a multiplicar
      DO M = 4,NZ
       CKJ(1,1) = CKW(1,1)*CKY(1,1,M) + CKW(1,2)*CKY(2,1,M)
       CKJ(1,2) = CKW(1,1)*CKY(1,2,M) + CKW(1,2)*CKY(2,2,M)
       CKJ(2,1) = CKW(2,1)*CKY(1,1,M) + CKW(2,2)*CKY(2,1,M)
       CKJ(2,2) = CKW(2,1)*CKY(1,2,M) + CKW(2,2)*CKY(2,2,M)

       !Renova o valor do fator a mutiplicar
       CKW(1,1) = CKJ(1,1)
       CKW(1,2) = CKJ(1,2)
       CKW(2,1) = CKJ(2,1)
       CKW(2,2) = CKJ(2,2)
    !WRITE(*,*) CKW(1,1)
      ENDDO


      RETURN
      END  SUBROUTINE CALCM

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      SUBROUTINE MESH(AL,DZ,Z)

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
!
      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ)
!

      DO I=1,NZ
      Z(I) = DFLOAT(I-1) * DZ
      ENDDO
 !
      RETURN
      END  SUBROUTINE MESH

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      SUBROUTINE POTE(A0,RY,AL,Z,V) !**********

!@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@

      IMPLICIT REAL(8) (A-H,O-Z)
      PARAMETER (NZ=501)
      DIMENSION Z(NZ), V(NZ)

        ALH = 0.5D0 * AL  !MEIO DO SISTEMA
        DQW = 50.D0 / A0   ! DISTANCIA ENTRE POCOS
        DQWH = 0.5D0 * DQW
        QW = 50.D0 / A0   ! LARGURA DOS POCOS
        QWH = 0.5D0 * QW
        AT = DQWH + QW

        DO IZ=1,NZ
        ZW = Z(IZ) - ALH
        V(IZ) = 0.D0
        IF(DABS(ZW).GT.DQWH.AND.DABS(ZW).LT.AT)  V(IZ) = 200.D0/RY
        WRITE(14,*) Z(IZ)*A0, V(IZ)*RY
        ENDDO
 !
      RETURN
      END  SUBROUTINE POTE
 
Aug8-12, 02:53 PM   #32
 
I think the problem is in this part


ELSE
CK2 = DSQRT(V(M+1)-E(K))*CZ
CDM = CK2/CKB
CKZ = CDEXP(CZ*CKB*DZ)
CKB = CK2
 
Aug9-12, 09:15 PM   #33
 
Anyone?
 
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