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hexangle3.for
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c 这个程序计算的是六角结构的光子晶体的能带图
c 是由K到Gama点
IMPLICIT NONE
REAL*8 A(289,289),Q(289,289),B(289),C(289)
REAL*8 A1(289,289),Q1(289,289),B1(289),C1(289)
REAL*8 FILING,T,TC,EPS,LENTH,RATIO,slope
INTEGER N,M,L,M1,N1,M2,N2,INT1,INT2,I
COMPLEX*16 G1,G2,G3,K
REAL*8 KX,KY,PI,TEMP,XX,J1,X,Y,EPSI1,EPSI2
OPEN(UNIT=2,FILE="sguide113.dat")
OPEN(UNIT=3,FILE="pguide113.dat")
EPS=0.000001
PI=3.1415926
RATIO=0.3
FILING=2.0*PI*(RATIO**2)/SQRT(3.0)
N=289
XX=0.0
EPSI1=1.0
EPSI2=2.231**2
slope=sqrt(3.0)/3.0
DO 1 KX=0.0, 0.5, 0.003/( 1+slope )
KY=KX*slope
K=CMPLX(KX, KY)
INT1=0
DO 2 M1=-8,8
DO 2 N1=-8,8
G1=CMPLX( (M1-N1)/2.0, (M1+N1)*sqrt(3.0)/2.0 )
INT1=INT1+1
INT2=0
DO 3 M2=-8,8
DO 3 N2=-8,8
INT2=INT2+1
G2=CMPLX( (M2-N2)/2.0, (M2+N2)*sqrt(3.0)/2.0 )
G3=G1-G2
X=2.0*PI*ABS(G3)*RATIO
IF (X. EQ . XX) THEN
Y=FILING/EPSI1+(1-FILING)/EPSI2
ELSE
Y=(1/EPSI1-1/EPSI2)*2.0*FILING*J1(X)/X
END If
A(INT1,INT2)=Y*(dreal(k+G1)*dreal(k+G2)
$ +dimag(k+G1)*dimag(k+G2) )
A1(INT1,INT2)=Y*( ABS(K+G1)*ABS(K+G2) )
3 CONTINUE
2 CONTINUE
CALL CSTRQ(A,N,Q,B,C)
CALL CSSTQ(N,B,C,Q,EPS,L)
CALL CSTRQ(A1,N,Q1,B1,C1)
CALL CSSTQ(N,B1,C1,Q1,EPS,L)
DO 88 M1=1,288
DO 88 N1=M1+1,289
IF ( B1(M1).GT.B1(N1) ) THEN
TEMP=B1(M1)
B1(M1)=B1(N1)
B1(N1)=TEMP
END IF
IF ( B(M1).GT.B(N1) ) THEN
TEMP=B(M1)
B(M1)=B(N1)
B(N1)=TEMP
END IF
88 CONTINUE
INT2=0
DO 44 INT1=1,289
IF (INT2.EQ.7) THEN
GOTO 41
END IF
IF (B(INT1).GE.XX) THEN
INT2=INT2+1
temp=1.0 +1.0/sqrt(3.0)
WRITE(2,*) temp-kx-ky, 2.0*SQRT(ABS(B(INT1)))/sqrt(3.0)
END IF
44 CONTINUE
41 INT2=0
DO 43 INT1=1,289
IF (INT2.EQ.7) THEN
GOTO 1
END IF
IF (B1(INT1).GE.XX) THEN
INT2=INT2+1
temp=1.0 + 1.0/sqrt(3.0)
WRITE(3,*) temp-kx-ky, 2.0*SQRT( ABS(B1(INT1)) )/sqrt(3.0)
END IF
43 continue
1 CONTINUE
END
FUNCTION J1(X)
REAL*8 X,J1
REAL*8 PI,T
PI=3.1415926
IF(X.LE.4.0) THEN
T=X/4.0
J1=(1.9999999998-3.9999999710*T**2+2.6666660544*T**4
$ -0.8888839649*T**6+0.1777582922*T**8-0.0236616773*T**10
$ +0.0022069155*T**12-0.0001289769*T**14)*T
ELSE
T=4.0/X
P1=sqrt(2*PI)*(0.3989422819+0.0029218256*T**2-0.0002232030*T**4
$ +0.0000580759*T**6-0.0000200920*T**8+0.0000042414*T**10)
Q1=t*sqrt(2*PI)*(0.0374008364-0.0006390400*T**2+0.0001064741*T**4
$ -0.0000398708*T**6+0.0000162200*T**8-0.0000036594*T**10)
TEMP=SQRT(2.0/(PI*X))
J1=TEMP*(P1*COS(X-3.0*PI/4.0)-Q1*SIN(X-3.0*PI/4.0))
END IF
RETURN
END
SUBROUTINE CSTRQ(A,N,Q,B,C)
INTEGER I,J,N
REAL*8 A(N,N),Q(N,N),B(N),C(N)
REAL*8 H,F,G,H2
DO 51 I=1,N
DO 51 J=1,N
Q(I,J)=A(I,J)
51 CONTINUE
DO 52 I=N,2,-1
H=0.0
IF (I. GT .2) THEN
DO 53 K=1,I-1
H=H+Q(I,K)*Q(I,K)
53 CONTINUE
END IF
IF (H+1.0. EQ .1.0) THEN
C(I)=0.0
IF (I. EQ .2) THEN
C(I)=Q(I,I-1)
END IF
B(I)=0.0
ELSE
C(I)=SQRT(H)
IF (Q(I,I-1). GT .0.0) THEN
C(I)=-C(I)
END IF
H=H-Q(I,I-1)*C(I)
Q(I,I-1)=Q(I,I-1)-C(I)
F=0.0
DO 50 J=1,I-1
Q(J,I)=Q(I,J)/H
G=0.0
DO 54 K=1,J
G=G+Q(J,K)*Q(I,K)
54 CONTINUE
IF (J+1. LE .I-1) THEN
DO 55 K=J+1,I-1
G=G+Q(K,J)*Q(I,K)
55 CONTINUE
END IF
C(J)=G/H
F=F+G*Q(J,I)
50 CONTINUE
H2=F/(H+H)
DO 56 J=1,I-1
F=Q(I,J)
G=C(J)-H2*F
C(J)=G
DO 57 K=1,J
Q(J,K)=Q(J,K)-F*C(K)-G*Q(I,K)
57 CONTINUE
56 CONTINUE
B(I)=H
END IF
52 CONTINUE
DO 58 I=1,N-1
C(I)=C(I+1)
58 CONTINUE
C(N)=0.0
B(1)=0.0
DO 59 I=1,N
IF ((B(I). NE. 0.0).AND.(I-1.GE.1)) THEN
DO 62 J=1,I-1
G=0.0
DO 60 K=1,I-1
G=G+Q(I,K)*Q(K,J)
60 CONTINUE
DO 61 K=1,I-1
Q(K,J)=Q(K,J)-G*Q(K,I)
61 CONTINUE
62 CONTINUE
END IF
B(I)=Q(I,I)
Q(I,I)=1.0
IF (I-1 .GE. 1) THEN
DO 63 J=1,I-1
Q(I,J)=0.0
Q(J,I)=0.0
63 CONTINUE
END IF
59 CONTINUE
RETURN
END
SUBROUTINE CSSTQ(N,B,C,Q,EPS,L)
INTEGER N,L,IT
REAL*8 B(N),C(N),Q(N,N),EPS
REAL*8 D,H,P,R,F,E,S,G
C(N)=0.0
D=0.0
F=0.0
DO 70 J=1,N
IT=0
H=EPS*( ABS(B(J))+ABS(C(J)) )
IF (H.GT.D) THEN
D=H
END IF
M=J-1
71 M=M+1
IF (M.LE.N) THEN
IF (ABS(C(M)).GT.D) GOTO 71
END IF
IF (M.NE.J) THEN
75 IF (IT.EQ.60) THEN
L=0
WRITE(*,88)
88 FORMAT (1X,'FAIL')
RETURN
END IF
IT=IT+1
G= B(J)
P=(B(J+1)-G)/( 2.0*C(J) )
R=SQRT(P*P+1.0)
IF (P.GE.0.0) THEN
B(J)=C(J)/(P+R)
ELSE
B(J)=C(J)/(P-R)
END IF
H=G-B(J)
DO 72 I=J+1,N
B(I)=B(I)-H
72 CONTINUE
F=F+H
P=B(M)
E=1.0
S=0.0
DO 74 I=M-1,J,-1
G=E*C(I)
H=E*P
IF (ABS(P).GE.ABS(C(I))) THEN
E=C(I)/P
R=SQRT(E*E+1.0)
C(I+1)=S*P*R
S=E/R
E=1.0/R
ELSE
E=P/C(I)
R=SQRT(E*E+1.0)
C(I+1)=S*C(I)*R
S=1.0/R
E=E/R
END IF
P=E*B(I)-S*G
B(I+1)=H+S*(E*G+S*B(I))
DO 73 K=1,N
H=Q(K,I+1)
Q(K,I+1)=S*Q(K,I)+E*H
Q(K,I)=E*Q(K,I)-S*H
73 CONTINUE
74 CONTINUE
C(J)=S*P
B(J)=E*P
IF (ABS(C(J)).GT.D) GOTO 75
END IF
B(J)=B(J)+F
70 CONTINUE
DO 76 I=1,N
K=I
P=B(I)
IF (I+1. le .N) THEN
J=I
80 J=J+1
IF (J.LE.N) THEN
IF (B(J).LE.P) THEN
K=J
P=B(J)
GOTO 80
END IF
END IF
END IF
IF (K.NE.I) THEN
B(K)=B(I)
B(I)=P
DO 77 J=1,N
P=Q(J,I)
Q(J,I)=Q(J,K)
Q(J,K)=P
77 CONTINUE
END IF
76 CONTINUE
L=1
RETURN
END