|
Density functional repository
|
DFT functional repository: c_ft97 fortran77 source
c
c----------------------------------------------------------------------
c
SUBROUTINE CALCEI(ARG,RESULT,INT)
C----------------------------------------------------------------------
C
C This Fortran 77 packet computes the exponential integrals Ei(x),
C E1(x), and exp(-x)*Ei(x) for real arguments x where
C
C integral (from t=-infinity to t=x) (exp(t)/t), x > 0,
C Ei(x) =
C -integral (from t=-x to t=infinity) (exp(t)/t), x < 0,
C
C and where the first integral is a principal value integral.
C The packet contains three function type subprograms: EI, EONE,
C and EXPEI; and one subroutine type subprogram: CALCEI. The
C calling statements for the primary entries are
C
C Y = EI(X), where X .NE. 0,
C
C Y = EONE(X), where X .GT. 0,
C and
C Y = EXPEI(X), where X .NE. 0,
C
C and where the entry points correspond to the functions Ei(x),
C E1(x), and exp(-x)*Ei(x), respectively. The routine CALCEI
C is intended for internal packet use only, all computations within
C the packet being concentrated in this routine. The function
C subprograms invoke CALCEI with the Fortran statement
C CALL CALCEI(ARG,RESULT,INT)
C where the parameter usage is as follows
C
C Function Parameters for CALCEI
C Call ARG RESULT INT
C
C EI(X) X .NE. 0 Ei(X) 1
C EONE(X) X .GT. 0 -Ei(-X) 2
C EXPEI(X) X .NE. 0 exp(-X)*Ei(X) 3
C
C The main computation involves evaluation of rational Chebyshev
C approximations published in Math. Comp. 22, 641-649 (1968), and
C Math. Comp. 23, 289-303 (1969) by Cody and Thacher. This
C transportable program is patterned after the machine-dependent
C FUNPACK packet NATSEI, but cannot match that version for
C efficiency or accuracy. This version uses rational functions
C that theoretically approximate the exponential integrals to
C at least 18 significant decimal digits. The accuracy achieved
C depends on the arithmetic system, the compiler, the intrinsic
C functions, and proper selection of the machine-dependent
C constants.
C
C
C*******************************************************************
C*******************************************************************
C
C Explanation of machine-dependent constants
C
C beta = radix for the floating-point system.
C minexp = smallest representable power of beta.
C maxexp = smallest power of beta that overflows.
C XBIG = largest argument acceptable to EONE; solution to
C equation:
C exp(-x)/x * (1 + 1/x) = beta ** minexp.
C XINF = largest positive machine number; approximately
C beta ** maxexp
C XMAX = largest argument acceptable to EI; solution to
C equation: exp(x)/x * (1 + 1/x) = beta ** maxexp.
C
C Approximate values for some important machines are:
C
C beta minexp maxexp
C
C CRAY-1 (S.P.) 2 -8193 8191
C Cyber 180/185
C under NOS (S.P.) 2 -975 1070
C IEEE (IBM/XT,
C SUN, etc.) (S.P.) 2 -126 128
C IEEE (IBM/XT,
C SUN, etc.) (D.P.) 2 -1022 1024
C IBM 3033 (D.P.) 16 -65 63
C VAX D-Format (D.P.) 2 -128 127
C VAX G-Format (D.P.) 2 -1024 1023
C
C XBIG XINF XMAX
C
C CRAY-1 (S.P.) 5670.31 5.45E+2465 5686.21
C Cyber 180/185
C under NOS (S.P.) 669.31 1.26E+322 748.28
C IEEE (IBM/XT,
C SUN, etc.) (S.P.) 82.93 3.40E+38 93.24
C IEEE (IBM/XT,
C SUN, etc.) (D.P.) 701.84 1.79D+308 716.35
C IBM 3033 (D.P.) 175.05 7.23D+75 179.85
C VAX D-Format (D.P.) 84.30 1.70D+38 92.54
C VAX G-Format (D.P.) 703.22 8.98D+307 715.66
C
C*******************************************************************
C*******************************************************************
C
C error returns
C
C The following table shows the types of error that may be
C encountered in this routine and the function value supplied
C in each case.
C
C error Argument Function values for
C Range EI EXPEI EONE
C
C UNDERFLOW (-)X .GT. XBIG 0 - 0
C OVERFLOW X .GE. XMAX XINF - -
C ILLEGAL X X = 0 -XINF -XINF XINF
C ILLEGAL X X .LT. 0 - - USE ABS(X)
C
C Intrinsic functions required are:
C
C ABS, SQRT, EXP
C
C
C Author: W. J. Cody
C Mathematics abd Computer Science Division
C Argonne National Laboratory
C Argonne, IL 60439
C
C Latest modification: September 9, 1988
C
C----------------------------------------------------------------------
INTEGER I,INT
CS real*8
CD DOUBLE PRECISION
real*8
1 A,ARG,B,C,D,EXP40,E,EI,F,FOUR,FOURTY,FRAC,HALF,ONE,P,
2 PLG,PX,P037,P1,P2,q,QLG,QX,Q1,Q2,R,RESULT,S,SIX,SUMP,
3 SUMQ,T,THREE,TWELVE,TWO,TWO4,W,X,XBIG,XINF,XMAX,XMX0,
4 X0,X01,X02,X11,Y,YSQ,ZERO
DIMENSION A(7),B(6),C(9),D(9),E(10),F(10),P(10),q(10),R(10),
1 S(9),P1(10),Q1(9),P2(10),Q2(9),PLG(4),QLG(4),PX(10),QX(10)
C----------------------------------------------------------------------
C Mathematical constants
C EXP40 = exp(40)
C X0 = zero of Ei
C X01/X11 + X02 = zero of Ei to extra precision
C----------------------------------------------------------------------
CS DATA ZERO,P037,HALF,ONE,TWO/0.0E0,0.037E0,0.5E0,1.0E0,2.0E0/,
CS 1 THREE,FOUR,SIX,TWELVE,TWO4/3.0E0,4.0E0,6.0E0,12.E0,24.0E0/,
CS 2 FOURTY,EXP40/40.0E0,2.3538526683701998541E17/,
CS 3 X01,X11,X02/381.5E0,1024.0E0,-5.1182968633365538008E-5/,
CS 4 X0/3.7250741078136663466E-1/
DATA ZERO,P037,HALF,ONE,TWO/0.0D0,0.037D0,0.5D0,1.0D0,2.0D0/,
1 THREE,FOUR,SIX,TWELVE,TWO4/3.0D0,4.0D0,6.0D0,12.D0,24.0D0/,
2 FOURTY,EXP40/40.0D0,2.3538526683701998541D17/,
3 X01,X11,X02/381.5D0,1024.0D0,-5.1182968633365538008D-5/,
4 X0/3.7250741078136663466D-1/
C----------------------------------------------------------------------
C Machine-dependent constants
C----------------------------------------------------------------------
CS DATA XINF/3.40E+38/,XMAX/93.246E0/,XBIG/82.93E0/
DATA XINF/1.79D+308/,XMAX/716.351D0/,XBIG/701.84D0/
C----------------------------------------------------------------------
C Coefficients for -1.0 <= X < 0.0
C----------------------------------------------------------------------
CS DATA A/1.1669552669734461083368E2, 2.1500672908092918123209E3,
CS 1 1.5924175980637303639884E4, 8.9904972007457256553251E4,
CS 2 1.5026059476436982420737E5,-1.4815102102575750838086E5,
CS 3 5.0196785185439843791020E0/
CS DATA B/4.0205465640027706061433E1, 7.5043163907103936624165E2,
CS 1 8.1258035174768735759855E3, 5.2440529172056355429883E4,
CS 2 1.8434070063353677359298E5, 2.5666493484897117319268E5/
DATA A/1.1669552669734461083368D2, 2.1500672908092918123209D3,
1 1.5924175980637303639884D4, 8.9904972007457256553251D4,
2 1.5026059476436982420737D5,-1.4815102102575750838086D5,
3 5.0196785185439843791020D0/
DATA B/4.0205465640027706061433D1, 7.5043163907103936624165D2,
1 8.1258035174768735759855D3, 5.2440529172056355429883D4,
2 1.8434070063353677359298D5, 2.5666493484897117319268D5/
C----------------------------------------------------------------------
C Coefficients for -4.0 <= X < -1.0
C----------------------------------------------------------------------
CS DATA C/3.828573121022477169108E-1, 1.107326627786831743809E+1,
CS 1 7.246689782858597021199E+1, 1.700632978311516129328E+2,
CS 2 1.698106763764238382705E+2, 7.633628843705946890896E+1,
CS 3 1.487967702840464066613E+1, 9.999989642347613068437E-1,
CS 4 1.737331760720576030932E-8/
CS DATA D/8.258160008564488034698E-2, 4.344836335509282083360E+0,
CS 1 4.662179610356861756812E+1, 1.775728186717289799677E+2,
CS 2 2.953136335677908517423E+2, 2.342573504717625153053E+2,
CS 3 9.021658450529372642314E+1, 1.587964570758947927903E+1,
CS 4 1.000000000000000000000E+0/
DATA C/3.828573121022477169108D-1, 1.107326627786831743809D+1,
1 7.246689782858597021199D+1, 1.700632978311516129328D+2,
2 1.698106763764238382705D+2, 7.633628843705946890896D+1,
3 1.487967702840464066613D+1, 9.999989642347613068437D-1,
4 1.737331760720576030932D-8/
DATA D/8.258160008564488034698D-2, 4.344836335509282083360D+0,
1 4.662179610356861756812D+1, 1.775728186717289799677D+2,
2 2.953136335677908517423D+2, 2.342573504717625153053D+2,
3 9.021658450529372642314D+1, 1.587964570758947927903D+1,
4 1.000000000000000000000D+0/
C----------------------------------------------------------------------
C Coefficients for X < -4.0
C----------------------------------------------------------------------
CS DATA E/1.3276881505637444622987E+2,3.5846198743996904308695E+4,
CS 1 1.7283375773777593926828E+5,2.6181454937205639647381E+5,
CS 2 1.7503273087497081314708E+5,5.9346841538837119172356E+4,
CS 3 1.0816852399095915622498E+4,1.0611777263550331766871E03,
CS 4 5.2199632588522572481039E+1,9.9999999999999999087819E-1/
CS DATA F/3.9147856245556345627078E+4,2.5989762083608489777411E+5,
CS 1 5.5903756210022864003380E+5,5.4616842050691155735758E+5,
CS 2 2.7858134710520842139357E+5,7.9231787945279043698718E+4,
CS 3 1.2842808586627297365998E+4,1.1635769915320848035459E+3,
CS 4 5.4199632588522559414924E+1,1.0E0/
DATA E/1.3276881505637444622987D+2,3.5846198743996904308695D+4,
1 1.7283375773777593926828D+5,2.6181454937205639647381D+5,
2 1.7503273087497081314708D+5,5.9346841538837119172356D+4,
3 1.0816852399095915622498D+4,1.0611777263550331766871D03,
4 5.2199632588522572481039D+1,9.9999999999999999087819D-1/
DATA F/3.9147856245556345627078D+4,2.5989762083608489777411D+5,
1 5.5903756210022864003380D+5,5.4616842050691155735758D+5,
2 2.7858134710520842139357D+5,7.9231787945279043698718D+4,
3 1.2842808586627297365998D+4,1.1635769915320848035459D+3,
4 5.4199632588522559414924D+1,1.0D0/
C----------------------------------------------------------------------
C Coefficients for rational approximation to ln(x/a), |1-x/a| < .1
C----------------------------------------------------------------------
CS DATA PLG/-2.4562334077563243311E+01,2.3642701335621505212E+02,
CS 1 -5.4989956895857911039E+02,3.5687548468071500413E+02/
CS DATA QLG/-3.5553900764052419184E+01,1.9400230218539473193E+02,
CS 1 -3.3442903192607538956E+02,1.7843774234035750207E+02/
DATA PLG/-2.4562334077563243311D+01,2.3642701335621505212D+02,
1 -5.4989956895857911039D+02,3.5687548468071500413D+02/
DATA QLG/-3.5553900764052419184D+01,1.9400230218539473193D+02,
1 -3.3442903192607538956D+02,1.7843774234035750207D+02/
C----------------------------------------------------------------------
C Coefficients for 0.0 < X < 6.0,
C ratio of Chebyshev polynomials
C----------------------------------------------------------------------
CS DATA P/-1.2963702602474830028590E01,-1.2831220659262000678155E03,
CS 1 -1.4287072500197005777376E04,-1.4299841572091610380064E06,
CS 2 -3.1398660864247265862050E05,-3.5377809694431133484800E08,
CS 3 3.1984354235237738511048E08,-2.5301823984599019348858E10,
CS 4 1.2177698136199594677580E10,-2.0829040666802497120940E11/
CS DATA Q/ 7.6886718750000000000000E01,-5.5648470543369082846819E03,
CS 1 1.9418469440759880361415E05,-4.2648434812177161405483E06,
CS 2 6.4698830956576428587653E07,-7.0108568774215954065376E08,
CS 3 5.4229617984472955011862E09,-2.8986272696554495342658E10,
CS 4 9.8900934262481749439886E10,-8.9673749185755048616855E10/
DATA P/-1.2963702602474830028590D01,-1.2831220659262000678155D03,
1 -1.4287072500197005777376D04,-1.4299841572091610380064D06,
2 -3.1398660864247265862050D05,-3.5377809694431133484800D08,
3 3.1984354235237738511048D08,-2.5301823984599019348858D10,
4 1.2177698136199594677580D10,-2.0829040666802497120940D11/
DATA q/ 7.6886718750000000000000D01,-5.5648470543369082846819D03,
1 1.9418469440759880361415D05,-4.2648434812177161405483D06,
2 6.4698830956576428587653D07,-7.0108568774215954065376D08,
3 5.4229617984472955011862D09,-2.8986272696554495342658D10,
4 9.8900934262481749439886D10,-8.9673749185755048616855D10/
C----------------------------------------------------------------------
C J-fraction coefficients for 6.0 <= X < 12.0
C----------------------------------------------------------------------
CS DATA R/-2.645677793077147237806E00,-2.378372882815725244124E00,
CS 1 -2.421106956980653511550E01, 1.052976392459015155422E01,
CS 2 1.945603779539281810439E01,-3.015761863840593359165E01,
CS 3 1.120011024227297451523E01,-3.988850730390541057912E00,
CS 4 9.565134591978630774217E00, 9.981193787537396413219E-1/
CS DATA S/ 1.598517957704779356479E-4, 4.644185932583286942650E00,
CS 1 3.697412299772985940785E02,-8.791401054875438925029E00,
CS 2 7.608194509086645763123E02, 2.852397548119248700147E01,
CS 3 4.731097187816050252967E02,-2.369210235636181001661E02,
CS 4 1.249884822712447891440E00/
DATA R/-2.645677793077147237806D00,-2.378372882815725244124D00,
1 -2.421106956980653511550D01, 1.052976392459015155422D01,
2 1.945603779539281810439D01,-3.015761863840593359165D01,
3 1.120011024227297451523D01,-3.988850730390541057912D00,
4 9.565134591978630774217D00, 9.981193787537396413219D-1/
DATA S/ 1.598517957704779356479D-4, 4.644185932583286942650D00,
1 3.697412299772985940785D02,-8.791401054875438925029D00,
2 7.608194509086645763123D02, 2.852397548119248700147D01,
3 4.731097187816050252967D02,-2.369210235636181001661D02,
4 1.249884822712447891440D00/
C----------------------------------------------------------------------
C J-fraction coefficients for 12.0 <= X < 24.0
C----------------------------------------------------------------------
CS DATA P1/-1.647721172463463140042E00,-1.860092121726437582253E01,
CS 1 -1.000641913989284829961E01,-2.105740799548040450394E01,
CS 2 -9.134835699998742552432E-1,-3.323612579343962284333E01,
CS 3 2.495487730402059440626E01, 2.652575818452799819855E01,
CS 4 -1.845086232391278674524E00, 9.999933106160568739091E-1/
CS DATA Q1/ 9.792403599217290296840E01, 6.403800405352415551324E01,
CS 1 5.994932325667407355255E01, 2.538819315630708031713E02,
CS 2 4.429413178337928401161E01, 1.192832423968601006985E03,
CS 3 1.991004470817742470726E02,-1.093556195391091143924E01,
CS 4 1.001533852045342697818E00/
DATA P1/-1.647721172463463140042D00,-1.860092121726437582253D01,
1 -1.000641913989284829961D01,-2.105740799548040450394D01,
2 -9.134835699998742552432D-1,-3.323612579343962284333D01,
3 2.495487730402059440626D01, 2.652575818452799819855D01,
4 -1.845086232391278674524D00, 9.999933106160568739091D-1/
DATA Q1/ 9.792403599217290296840D01, 6.403800405352415551324D01,
1 5.994932325667407355255D01, 2.538819315630708031713D02,
2 4.429413178337928401161D01, 1.192832423968601006985D03,
3 1.991004470817742470726D02,-1.093556195391091143924D01,
4 1.001533852045342697818D00/
C----------------------------------------------------------------------
C J-fraction coefficients for X .GE. 24.0
C----------------------------------------------------------------------
CS DATA P2/ 1.75338801265465972390E02,-2.23127670777632409550E02,
CS 1 -1.81949664929868906455E01,-2.79798528624305389340E01,
CS 2 -7.63147701620253630855E00,-1.52856623636929636839E01,
CS 3 -7.06810977895029358836E00,-5.00006640413131002475E00,
CS 4 -3.00000000320981265753E00, 1.00000000000000485503E00/
CS DATA Q2/ 3.97845977167414720840E04, 3.97277109100414518365E00,
CS 1 1.37790390235747998793E02, 1.17179220502086455287E02,
CS 2 7.04831847180424675988E01,-1.20187763547154743238E01,
CS 3 -7.99243595776339741065E00,-2.99999894040324959612E00,
CS 4 1.99999999999048104167E00/
DATA P2/ 1.75338801265465972390D02,-2.23127670777632409550D02,
1 -1.81949664929868906455D01,-2.79798528624305389340D01,
2 -7.63147701620253630855D00,-1.52856623636929636839D01,
3 -7.06810977895029358836D00,-5.00006640413131002475D00,
4 -3.00000000320981265753D00, 1.00000000000000485503D00/
DATA Q2/ 3.97845977167414720840D04, 3.97277109100414518365D00,
1 1.37790390235747998793D02, 1.17179220502086455287D02,
2 7.04831847180424675988D01,-1.20187763547154743238D01,
3 -7.99243595776339741065D00,-2.99999894040324959612D00,
4 1.99999999999048104167D00/
C----------------------------------------------------------------------
X = ARG
IF (X .EQ. ZERO) THEN
EI = -XINF
IF (INT .EQ. 2) EI = -EI
ELSE IF ((X .LT. ZERO) .OR. (INT .EQ. 2)) THEN
C----------------------------------------------------------------------
C Calculate EI for negative argument or for E1.
C----------------------------------------------------------------------
Y = ABS(X)
IF (Y .LE. ONE) THEN
SUMP = A(7) * Y + A(1)
SUMQ = Y + B(1)
DO 110 I = 2, 6
SUMP = SUMP * Y + A(I)
SUMQ = SUMQ * Y + B(I)
110 CONTINUE
EI = LOG(Y) - SUMP / SUMQ
IF (INT .EQ. 3) EI = EI * EXP(Y)
ELSE IF (Y .LE. FOUR) THEN
W = ONE / Y
SUMP = C(1)
SUMQ = D(1)
DO 130 I = 2, 9
SUMP = SUMP * W + C(I)
SUMQ = SUMQ * W + D(I)
130 CONTINUE
EI = - SUMP / SUMQ
IF (INT .NE. 3) EI = EI * EXP(-Y)
ELSE
IF ((Y .GT. XBIG) .AND. (INT .LT. 3)) THEN
EI = ZERO
ELSE
W = ONE / Y
SUMP = E(1)
SUMQ = F(1)
DO 150 I = 2, 10
SUMP = SUMP * W + E(I)
SUMQ = SUMQ * W + F(I)
150 CONTINUE
EI = -W * (ONE - W * SUMP / SUMQ )
IF (INT .NE. 3) EI = EI * EXP(-Y)
END IF
END IF
IF (INT .EQ. 2) EI = -EI
ELSE IF (X .LT. SIX) THEN
C----------------------------------------------------------------------
C To improve conditioning, rational approximations are expressed
C in terms of Chebyshev polynomials for 0 <= X < 6, and in
C continued fraction form for larger X.
C----------------------------------------------------------------------
T = X + X
T = T / THREE - TWO
PX(1) = ZERO
QX(1) = ZERO
PX(2) = P(1)
QX(2) = q(1)
DO 210 I = 2, 9
PX(I+1) = T * PX(I) - PX(I-1) + P(I)
QX(I+1) = T * QX(I) - QX(I-1) + q(I)
210 CONTINUE
SUMP = HALF * T * PX(10) - PX(9) + P(10)
SUMQ = HALF * T * QX(10) - QX(9) + q(10)
FRAC = SUMP / SUMQ
XMX0 = (X - X01/X11) - X02
IF (ABS(XMX0) .GE. P037) THEN
EI = LOG(X/X0) + XMX0 * FRAC
IF (INT .EQ. 3) EI = EXP(-X) * EI
ELSE
C----------------------------------------------------------------------
C Special approximation to ln(X/X0) for X close to X0
C----------------------------------------------------------------------
Y = XMX0 / (X + X0)
YSQ = Y*Y
SUMP = PLG(1)
SUMQ = YSQ + QLG(1)
DO 220 I = 2, 4
SUMP = SUMP*YSQ + PLG(I)
SUMQ = SUMQ*YSQ + QLG(I)
220 CONTINUE
EI = (SUMP / (SUMQ*(X+X0)) + FRAC) * XMX0
IF (INT .EQ. 3) EI = EXP(-X) * EI
END IF
ELSE IF (X .LT. TWELVE) THEN
FRAC = ZERO
DO 230 I = 1, 9
FRAC = S(I) / (R(I) + X + FRAC)
230 CONTINUE
EI = (R(10) + FRAC) / X
IF (INT .NE. 3) EI = EI * EXP(X)
ELSE IF (X .LE. TWO4) THEN
FRAC = ZERO
DO 240 I = 1, 9
FRAC = Q1(I) / (P1(I) + X + FRAC)
240 CONTINUE
EI = (P1(10) + FRAC) / X
IF (INT .NE. 3) EI = EI * EXP(X)
ELSE
IF ((X .GE. XMAX) .AND. (INT .LT. 3)) THEN
EI = XINF
ELSE
Y = ONE / X
FRAC = ZERO
DO 250 I = 1, 9
FRAC = Q2(I) / (P2(I) + X + FRAC)
250 CONTINUE
FRAC = P2(10) + FRAC
EI = Y + Y * Y * FRAC
IF (INT .NE. 3) THEN
IF (X .LE. XMAX-TWO4) THEN
EI = EI * EXP(X)
ELSE
C----------------------------------------------------------------------
C Calculation reformulated to avoid premature overflow
C----------------------------------------------------------------------
EI = (EI * EXP(X-FOURTY)) * EXP40
END IF
END IF
END IF
END IF
RESULT = EI
RETURN
C---------- Last line of CALCEI ----------
END
FUNCTION EI(X)
C--------------------------------------------------------------------
C
C This function program computes approximate values for the
C exponential integral Ei(x), where x is real.
C
C Author: W. J. Cody
C
C Latest modification: January 12, 1988
C
C--------------------------------------------------------------------
INTEGER INT
CS real*8 EI, X, RESULT
CD DOUBLE PRECISION EI, X, RESULT
real*8 EI, X, RESULT
C--------------------------------------------------------------------
INT = 1
CALL CALCEI(X,RESULT,INT)
EI = RESULT
RETURN
C---------- Last line of EI ----------
END
FUNCTION EXPEI(X)
C--------------------------------------------------------------------
C
C This function program computes approximate values for the
C function exp(-x) * Ei(x), where Ei(x) is the exponential
C integral, and x is real.
C
C Author: W. J. Cody
C
C Latest modification: January 12, 1988
C
C--------------------------------------------------------------------
INTEGER INT
CS real*8 EXPEI, X, RESULT
real*8 EXPEI, X, RESULT
CD DOUBLE PRECISION EXPEI, X, RESULT
C--------------------------------------------------------------------
INT = 3
CALL CALCEI(X,RESULT,INT)
EXPEI = RESULT
RETURN
C---------- Last line of EXPEI ----------
END
FUNCTION E1(X)
C--------------------------------------------------------------------
C
C This function program computes approximate values for the
C exponential integral E1(x), where x is real.
C
C Author: W. J. Cody
C
C Latest modification: January 12, 1988
C
C--------------------------------------------------------------------
INTEGER INT
CS real*8 EONE, X, RESULT
CD DOUBLE PRECISION EONE, X, RESULT
real*8 E1, X, RESULT
C--------------------------------------------------------------------
INT = 2
CALL CALCEI(X,RESULT,INT)
E1 = RESULT
RETURN
C---------- Last line of E1 ----------
END
c:C_FT97subrstart
c Generated: Tue Nov 4 11:48:09 GMT 2003
subroutine uks_c_ft97
& (ideriv,npt,rhoa1,rhob1,sigmaaa1,sigmabb1,sigmaab1,
& zk,vrhoa,vrhob,vsigmaaa,vsigmabb,vsigmaab,
& v2rhoa2,v2rhob2,v2rhoab,
& v2rhoasigmaaa,v2rhoasigmaab,v2rhoasigmabb,
& v2rhobsigmabb,v2rhobsigmaab,v2rhobsigmaaa,
& v2sigmaaa2,v2sigmaaaab,v2sigmaaabb,
& v2sigmaab2,v2sigmaabbb,v2sigmabb2)
c
c M. Filatov, and W. Thiel
c A nonlocal correlation energy density functional from a
c Coulomb hole model
c Int. J. Quant. Chem. 62 (1997) 603-616
c
c M. Filatov, and W. Thiel
c A new gradient-corrected exchange-correlation density functional
c Mol. Phys. 91 (1997) 847-859
c
c
c CITATION:
c
c Functionals were obtained from the Density Functional Repository
c as developed and distributed by the Quantum Chemistry Group,
c CCLRC Daresbury Laboratory, Daresbury, Cheshire, WA4 4AD
c United Kingdom. Contact Huub van Dam (h.j.j.vandam@dl.ac.uk) or
c Paul Sherwood for further information.
c
c COPYRIGHT:
c
c Users may incorporate the source code into software packages and
c redistribute the source code provided the source code is not
c changed in anyway and is properly cited in any documentation or
c publication related to its use.
c
c ACKNOWLEDGEMENT:
c
c The source code was generated using Maple 8 through a modified
c version of the dfauto script published in:
c
c R. Strange, F.R. Manby, P.J. Knowles
c Automatic code generation in density functional theory
c Comp. Phys. Comm. 136 (2001) 310-318.
c
implicit real*8 (a-h,o-z)
integer ideriv,npt
real*8 rhoa1(npt),rhob1(npt)
real*8 sigmaaa1(npt),sigmabb1(npt),sigmaab1(npt)
real*8 zk(npt),vrhoa(npt),vrhob(npt)
real*8 vsigmaaa(npt),vsigmabb(npt),vsigmaab(npt)
real*8 v2rhoa2(npt),v2rhob2(npt),v2rhoab(npt)
real*8 v2rhoasigmaaa(npt),v2rhoasigmaab(npt)
real*8 v2rhoasigmabb(npt),v2rhobsigmabb(npt)
real*8 v2rhobsigmaab(npt),v2rhobsigmaaa(npt)
real*8 v2sigmaaa2(npt),v2sigmaaaab(npt),v2sigmaaabb(npt)
real*8 v2sigmaab2(npt),v2sigmaabbb(npt),v2sigmabb2(npt)
parameter(tolmin=1.0d-20)
parameter(tolmax=1.0d+5)
if (ideriv.eq.0) then
do i=1,npt
rhoa = dmax1(0.D0,rhoa1(i))
rhob = dmax1(0.D0,rhob1(i))
rho = rhoa+rhob
zk(i) = 0.D0
if(rho.gt.tolmin) then
sigmaaa = dmax1(0.D0,sigmaaa1(i))
sigmaab = sigmaab1(i)
sigmabb = dmax1(0.D0,sigmabb1(i))
sigma = sigmaaa+sigmabb+2.D0*sigmaab
if(rhoa.gt.tolmin) then
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmaaa**2
t15 = rhoa**2
t16 = t15**2
t18 = rhoa**(1.D0/3.D0)
t21 = t14/t18/t16/rhoa
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.2481823842598833D0*sigmaaa/t26/t15/t2)
#*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rhoa
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t9 = (0.7395908974809453D0*t5+0.1075172860312113D1*t3)**2
t13 = dexp(-0.3848347315591266D0*t4/t9)
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmaaa**2
t39 = rhoa**2
t40 = t39**2
t42 = rhoa**(1.D0/3.D0)
t44 = 1/t42/t40/rhoa
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmaaa*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t78 = (0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75)**2
t80 = t3/t78
t81 = t37*t44
t84 = (0.1D1+0.4473229026479948D-1*t81)**2
t85 = 1/t84
t90 = 0.1D1+0.2481823842598833D0*sigmaaa*t55/t3
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t85*t90*t93
t96 = dsqrt(t95)
zk(i) = zk(i)+0.1554534543482745D-1*rhoa*t13*(1.D0*t67+(0.6D1
#+0.4535739597862518D0*t96+0.5143233424904509D-1*t95)/(0.3D1
#+0.6803609396793777D0*t96+0.7714850137356763D-1*t95)*
#(0.1285808356226127D-1*t80*t85*t90*t67*t93+0.1D1))
endif
endif ! rhoa
if(rhob.gt.tolmin) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmabb**2
t15 = rhob**2
t16 = t15**2
t18 = rhob**(1.D0/3.D0)
t21 = t14/t18/t16/rhob
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcbb = t13*t24/(0.1D1+0.2481823842598833D0*sigmabb/t26/t15/t2)
#*t37
if(trsb.lt.tolmax*trcbb) then
t2 = 1/rhob
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t9 = (0.7395908974809453D0*t5+0.1075172860312113D1*t3)**2
t13 = dexp(-0.3848347315591266D0*t4/t9)
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmabb**2
t39 = rhob**2
t40 = t39**2
t42 = rhob**(1.D0/3.D0)
t44 = 1/t42/t40/rhob
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmabb*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t78 = (0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75)**2
t80 = t3/t78
t81 = t37*t44
t84 = (0.1D1+0.4473229026479948D-1*t81)**2
t85 = 1/t84
t90 = 0.1D1+0.2481823842598833D0*sigmabb*t55/t3
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t85*t90*t93
t96 = dsqrt(t95)
zk(i) = zk(i)+0.1554534543482745D-1*rhob*t13*(1.D0*t67+(0.6D1
#+0.4535739597862518D0*t96+0.5143233424904509D-1*t95)/(0.3D1
#+0.6803609396793777D0*t96+0.7714850137356763D-1*t95)*
#(0.1285808356226127D-1*t80*t85*t90*t67*t93+0.1D1))
endif
endif ! rhob
if ((rhoa.gt.tolmin).and.(rhob.gt.tolmin)) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhob**2
t12 = rhob**(1.D0/3.D0)
t13 = t12**2
t16 = sigmabb/t13/t11
t18 = sigmabb**2
t19 = t11**2
t23 = t18/t12/t19/rhob
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcab = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsb.lt.tolmax*trcab) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhob
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmabb
t23 = rhob**2
t24 = rhob**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmabb**2
t34 = t23**2
t37 = 1/t24/t34/rhob
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t61 = dexp(-0.5683671053580832D-1*t59)
t64 = (0.942486901D0+0.349064173D0*t61)**2
t66 = t56/t64
t67 = sigmabb*t27
t69 = t32*t37
t72 = (0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
#)**2
t73 = 1/t72
t77 = 0.1D1+0.9505299311782149D-1*t67/t56
t80 = dexp(0.8778318595271399D-3*t69)
t82 = t66*t73*t77*t80
t83 = dsqrt(t82)
zk(i) = zk(i)+0.1554534543482745D-1*rhoa*(1.D0*t54+(0.6D1
#+0.4535739597862518D0*t83+0.5143233424904509D-1*t82)/(0.3D1
#+0.6803609396793777D0*t83+0.7714850137356763D-1*t82)*
#(0.1285808356226127D-1*t66*t73*t77*t54*t80+0.1D1))
endif
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhoa**2
t12 = rhoa**(1.D0/3.D0)
t13 = t12**2
t16 = sigmaaa/t13/t11
t18 = sigmaaa**2
t19 = t11**2
t23 = t18/t12/t19/rhoa
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhoa
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmaaa
t23 = rhoa**2
t24 = rhoa**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmaaa**2
t34 = t23**2
t37 = 1/t24/t34/rhoa
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t61 = dexp(-0.5683671053580832D-1*t59)
t64 = (0.942486901D0+0.349064173D0*t61)**2
t66 = t56/t64
t67 = sigmaaa*t27
t69 = t32*t37
t72 = (0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
#)**2
t73 = 1/t72
t77 = 0.1D1+0.9505299311782149D-1*t67/t56
t80 = dexp(0.8778318595271399D-3*t69)
t82 = t66*t73*t77*t80
t83 = dsqrt(t82)
zk(i) = zk(i)+0.1554534543482745D-1*rhob*(1.D0*t54+(0.6D1
#+0.4535739597862518D0*t83+0.5143233424904509D-1*t82)/(0.3D1
#+0.6803609396793777D0*t83+0.7714850137356763D-1*t82)*
#(0.1285808356226127D-1*t66*t73*t77*t54*t80+0.1D1))
endif
endif ! rhoa,rhob
endif ! rho
enddo
else if(ideriv.eq.1) then
do i=1,npt
rhoa = dmax1(0.D0,rhoa1(i))
rhob = dmax1(0.D0,rhob1(i))
rho = rhoa+rhob
zk(i) = 0.D0
vrhoa(i) = 0.D0
vrhob(i) = 0.D0
vsigmaaa(i) = 0.D0
vsigmaab(i) = 0.D0
vsigmabb(i) = 0.D0
if(rho.gt.tolmin) then
sigmaaa = dmax1(0.D0,sigmaaa1(i))
sigmaab = sigmaab1(i)
sigmabb = dmax1(0.D0,sigmabb1(i))
sigma = sigmaaa+sigmabb+2.D0*sigmaab
if(rhoa.gt.tolmin) then
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmaaa**2
t15 = rhoa**2
t16 = t15**2
t18 = rhoa**(1.D0/3.D0)
t21 = t14/t18/t16/rhoa
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.2481823842598833D0*sigmaaa/t26/t15/t2)
#*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rhoa
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.7395908974809453D0*t5+0.1075172860312113D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.3848347315591266D0*t4*t10)
t14 = rhoa*t13
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmaaa**2
t39 = rhoa**2
t40 = t39**2
t42 = rhoa**(1.D0/3.D0)
t44 = 1/t42/t40/rhoa
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmaaa*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t77 = 0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75
t78 = t77**2
t79 = 1/t78
t80 = t3*t79
t81 = t37*t44
t83 = 0.1D1+0.4473229026479948D-1*t81
t84 = t83**2
t85 = 1/t84
t87 = 1/t3
t90 = 0.1D1+0.2481823842598833D0*sigmaaa*t55*t87
t91 = t85*t90
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t91*t93
t96 = dsqrt(t95)
t99 = 0.6D1+0.4535739597862518D0*t96+0.5143233424904509D-1*t95
t102 = 0.3D1+0.6803609396793777D0*t96+0.7714850137356763D-1*t95
t103 = 1/t102
t104 = t99*t103
t105 = t80*t85
t106 = t90*t67
t110 = 0.1285808356226127D-1*t105*t106*t93+0.1D1
t112 = 1.D0*t67+t104*t110
zk(i) = zk(i)+0.1554534543482745D-1*t14*t112
t116 = t13*t112
t119 = 1/t39
t125 = t5**2
t126 = t125**2
t129 = 1/t126/t5*t119
t131 = 1/t4
t142 = t131*t79*t85
t143 = t90*t93
t145 = t142*t143*t119
t146 = 0.4286027854087091D-2*t145
t150 = t3/t78/t77*t85
t151 = t70**2
t153 = t151**2
t161 = 0.5870805542307996D-1/t153/t151/t69*t119*t72
#-0.1229232435108575D0*t129*t75
t163 = t150*t143*t161
t164 = 0.2571616712452254D-1*t163
t166 = 1/t84/t83
t167 = t80*t166
t170 = 1/t42/t40/t39
t172 = t143*t37*t170
t173 = t167*t172
t174 = 0.613516294566526D-2*t173
t188 = -0.6618196913596887D0*sigmaaa/t53/t39/rhoa*t87
#+0.8272746141996109D-1*sigmaaa/t53/t40/t3/t2
t191 = t80*t85*t188*t93
t192 = 0.1285808356226127D-1*t191
t193 = t105*t172
t194 = 0.613516294566526D-2*t193
t195 = -t146-t164+t174+t192-t194
t204 = dexp(-0.8946458052959895D-1*t81)
t205 = t84/t90*t204
t208 = 1/t96
t215 = t208*(-0.2306016315371713D-1*t145-0.1383609789223028D0
#*t163+0.3300908517586267D-1*t173+0.6918048946115138D-1*t191
#-0.3300908517586267D-1*t193)
t225 = t102**2
t227 = t99/t225
t247 = t80*t166*t90
t250 = t67*t37*t170*t93
t257 = t80*t91
t261 = t67*t93
t265 = -0.4286027854087091D-2*t142*t106*t119*t93
#-0.2571616712452254D-1*t150*t106*t161*t93+0.613516294566526D-2
#*t247*t250+0.1285808356226127D-1*t105*t188*t67*t93
#-0.613516294566526D-2*t257*t250+0.1285808356226127D-1*t105*t90
#*t195*t261-t146-t164+t174+t192-t194
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t116
#+0.1554534543482745D-1*rhoa*(0.2565564877060844D0*t87*t10*t119
#+0.7696694631182532D0*t4/t9/t8*(-0.1232651495801576D0*t129
#-0.358390953437371D0*t131*t119))*t116+0.1554534543482745D-1*t14*
#(1.D0*t195*t67+0.7777208750882749D2*t195*t87*t78*t205+
#(0.3278192763011299D1*t215-0.1714411141634836D-1*t145
#-0.1028646684980902D0*t163+0.2454065178266104D-1*t173
#+0.5143233424904509D-1*t191-0.2454065178266104D-1*t193)*t103
#*t110-1.D0*t227*t110*(0.4917289144516948D1*t215
#-0.2571616712452254D-1*t145-0.1542970027471353D0*t163
#+0.3681097767399156D-1*t173+0.7714850137356763D-1*t191
#-0.3681097767399156D-1*t193)+t104*t265)
t272 = t143*sigmaaa*t44
t273 = t167*t272
t274 = 0.2300686104624472D-2*t273
t275 = t79*t85
t277 = t275*t55*t93
t278 = 0.3191149835494816D-2*t277
t279 = t105*t272
t280 = 0.2300686104624472D-2*t279
t281 = -t274+t278+t280
t293 = t208*(-0.123784069409485D-1*t273+0.1716937881873428D-1
#*t277+0.123784069409485D-1*t279)
t311 = t67*sigmaaa*t44*t93
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*t14*(1.D0*t281
#*t67+0.7777208750882749D2*t281*t87*t78*t205+
#(0.3278192763011299D1*t293-0.9202744418497889D-2*t273
#+0.1276459934197926D-1*t277+0.9202744418497889D-2*t279)*t103
#*t110-1.D0*t227*t110*(0.4917289144516948D1*t293
#-0.1380411662774683D-1*t273+0.1914689901296889D-1*t277
#+0.1380411662774683D-1*t279)+t104*(-0.2300686104624472D-2*t247
#*t311+0.3191149835494816D-2*t275*t55*t67*t93
#+0.2300686104624472D-2*t257*t311+0.1285808356226127D-1*t105*t90
#*t281*t261-t274+t278+t280))
endif
endif ! rhoa
if(rhob.gt.tolmin) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmabb**2
t15 = rhob**2
t16 = t15**2
t18 = rhob**(1.D0/3.D0)
t21 = t14/t18/t16/rhob
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcbb = t13*t24/(0.1D1+0.2481823842598833D0*sigmabb/t26/t15/t2)
#*t37
if(trsb.lt.tolmax*trcbb) then
t2 = 1/rhob
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.7395908974809453D0*t5+0.1075172860312113D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.3848347315591266D0*t4*t10)
t14 = rhob*t13
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmabb**2
t39 = rhob**2
t40 = t39**2
t42 = rhob**(1.D0/3.D0)
t44 = 1/t42/t40/rhob
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmabb*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t77 = 0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75
t78 = t77**2
t79 = 1/t78
t80 = t3*t79
t81 = t37*t44
t83 = 0.1D1+0.4473229026479948D-1*t81
t84 = t83**2
t85 = 1/t84
t87 = 1/t3
t90 = 0.1D1+0.2481823842598833D0*sigmabb*t55*t87
t91 = t85*t90
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t91*t93
t96 = dsqrt(t95)
t99 = 0.6D1+0.4535739597862518D0*t96+0.5143233424904509D-1*t95
t102 = 0.3D1+0.6803609396793777D0*t96+0.7714850137356763D-1*t95
t103 = 1/t102
t104 = t99*t103
t105 = t80*t85
t106 = t90*t67
t110 = 0.1285808356226127D-1*t105*t106*t93+0.1D1
t112 = 1.D0*t67+t104*t110
zk(i) = zk(i)+0.1554534543482745D-1*t14*t112
t116 = t13*t112
t119 = 1/t39
t125 = t5**2
t126 = t125**2
t129 = 1/t126/t5*t119
t131 = 1/t4
t142 = t131*t79*t85
t143 = t90*t93
t145 = t142*t143*t119
t146 = 0.4286027854087091D-2*t145
t150 = t3/t78/t77*t85
t151 = t70**2
t153 = t151**2
t161 = 0.5870805542307996D-1/t153/t151/t69*t119*t72
#-0.1229232435108575D0*t129*t75
t163 = t150*t143*t161
t164 = 0.2571616712452254D-1*t163
t166 = 1/t84/t83
t167 = t80*t166
t170 = 1/t42/t40/t39
t172 = t143*t37*t170
t173 = t167*t172
t174 = 0.613516294566526D-2*t173
t188 = -0.6618196913596887D0*sigmabb/t53/t39/rhob*t87
#+0.8272746141996109D-1*sigmabb/t53/t40/t3/t2
t191 = t80*t85*t188*t93
t192 = 0.1285808356226127D-1*t191
t193 = t105*t172
t194 = 0.613516294566526D-2*t193
t195 = -t146-t164+t174+t192-t194
t204 = dexp(-0.8946458052959895D-1*t81)
t205 = t84/t90*t204
t208 = 1/t96
t215 = t208*(-0.2306016315371713D-1*t145-0.1383609789223028D0
#*t163+0.3300908517586267D-1*t173+0.6918048946115138D-1*t191
#-0.3300908517586267D-1*t193)
t225 = t102**2
t227 = t99/t225
t247 = t80*t166*t90
t250 = t67*t37*t170*t93
t257 = t80*t91
t261 = t67*t93
t265 = -0.4286027854087091D-2*t142*t106*t119*t93
#-0.2571616712452254D-1*t150*t106*t161*t93+0.613516294566526D-2
#*t247*t250+0.1285808356226127D-1*t105*t188*t67*t93
#-0.613516294566526D-2*t257*t250+0.1285808356226127D-1*t105*t90
#*t195*t261-t146-t164+t174+t192-t194
vrhob(i) = vrhob(i)+0.1554534543482745D-1*t116
#+0.1554534543482745D-1*rhob*(0.2565564877060844D0*t87*t10*t119
#+0.7696694631182532D0*t4/t9/t8*(-0.1232651495801576D0*t129
#-0.358390953437371D0*t131*t119))*t116+0.1554534543482745D-1*t14*
#(1.D0*t195*t67+0.7777208750882749D2*t195*t87*t78*t205+
#(0.3278192763011299D1*t215-0.1714411141634836D-1*t145
#-0.1028646684980902D0*t163+0.2454065178266104D-1*t173
#+0.5143233424904509D-1*t191-0.2454065178266104D-1*t193)*t103
#*t110-1.D0*t227*t110*(0.4917289144516948D1*t215
#-0.2571616712452254D-1*t145-0.1542970027471353D0*t163
#+0.3681097767399156D-1*t173+0.7714850137356763D-1*t191
#-0.3681097767399156D-1*t193)+t104*t265)
t272 = t143*sigmabb*t44
t273 = t167*t272
t274 = 0.2300686104624472D-2*t273
t275 = t79*t85
t277 = t275*t55*t93
t278 = 0.3191149835494816D-2*t277
t279 = t105*t272
t280 = 0.2300686104624472D-2*t279
t281 = -t274+t278+t280
t293 = t208*(-0.123784069409485D-1*t273+0.1716937881873428D-1
#*t277+0.123784069409485D-1*t279)
t311 = t67*sigmabb*t44*t93
vsigmabb(i) = vsigmabb(i)+0.1554534543482745D-1*t14*(1.D0*t281
#*t67+0.7777208750882749D2*t281*t87*t78*t205+
#(0.3278192763011299D1*t293-0.9202744418497889D-2*t273
#+0.1276459934197926D-1*t277+0.9202744418497889D-2*t279)*t103
#*t110-1.D0*t227*t110*(0.4917289144516948D1*t293
#-0.1380411662774683D-1*t273+0.1914689901296889D-1*t277
#+0.1380411662774683D-1*t279)+t104*(-0.2300686104624472D-2*t247
#*t311+0.3191149835494816D-2*t275*t55*t67*t93
#+0.2300686104624472D-2*t257*t311+0.1285808356226127D-1*t105*t90
#*t281*t261-t274+t278+t280))
endif
endif ! rhob
if ((rhoa.gt.tolmin).and.(rhob.gt.tolmin)) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhob**2
t12 = rhob**(1.D0/3.D0)
t13 = t12**2
t16 = sigmabb/t13/t11
t18 = sigmabb**2
t19 = t11**2
t23 = t18/t12/t19/rhob
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcab = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsb.lt.tolmax*trcab) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhob
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmabb
t23 = rhob**2
t24 = rhob**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmabb**2
t34 = t23**2
t37 = 1/t24/t34/rhob
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t60 = 0.5683671053580832D-1*t59
t61 = dexp(-t60)
t63 = 0.942486901D0+0.349064173D0*t61
t64 = t63**2
t65 = 1/t64
t66 = t56*t65
t67 = sigmabb*t27
t69 = t32*t37
t71 = 0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
t72 = t71**2
t73 = 1/t72
t74 = 1/t56
t77 = 0.1D1+0.9505299311782149D-1*t67*t74
t78 = t73*t77
t79 = 0.8778318595271399D-3*t69
t80 = dexp(t79)
t82 = t66*t78*t80
t83 = dsqrt(t82)
t86 = 0.6D1+0.4535739597862518D0*t83+0.5143233424904509D-1*t82
t89 = 0.3D1+0.6803609396793777D0*t83+0.7714850137356763D-1*t82
t90 = 1/t89
t91 = t86*t90
t92 = t66*t73
t93 = t77*t54
t97 = 0.1285808356226127D-1*t92*t93*t80+0.1D1
t98 = t91*t97
zk(i) = zk(i)+0.1554534543482745D-1*rhoa*(1.D0*t54+t98)
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t54
#+0.1554534543482745D-1*t98
t106 = t56**2
t109 = 1/t106*t65*t73
t110 = t77*t80
t111 = 1/t23
t113 = t109*t110*t111
t114 = 0.4286027854087091D-2*t113
t115 = t5**(1.D0/5.D0)
t116 = t115**2
t121 = 1/t116/t64/t63*t73
t124 = dexp(t79-t60)
t126 = t121*t77*t111*t124
t127 = 0.1360533322067624D-3*t126
t130 = t66/t72/t71
t134 = sigmabb/t25/t23/rhob
t138 = 1/t24/t34/t23
t139 = t32*t138
t141 = -0.1849622637793975D0*t134-0.234088495873904D-2*t139
t143 = t130*t110*t141
t144 = 0.2571616712452254D-1*t143
t154 = -0.2534746483141907D0*t134*t74+0.3168433103927383D-1
#*sigmabb/t25/t34/t56/t5
t157 = t66*t73*t154*t80
t158 = 0.1285808356226127D-1*t157
t160 = t92*t110*t139
t161 = 0.601985888182142D-4*t160
t162 = -t114-t127-t144+t158-t161
t171 = dexp(-0.8778318595271399D-3*t69)
t172 = t72/t77*t171
t175 = 1/t83
t182 = t175*(-0.2306016315371713D-1*t113-0.7320092507805402D-3
#*t126-0.1383609789223028D0*t143+0.6918048946115138D-1*t157
#-0.3238871344356278D-3*t160)
t192 = t89**2
t194 = t86/t192
t221 = t66*t78
t228 = t54*t80
t232 = -0.4286027854087091D-2*t109*t93*t111*t80
#-0.1360533322067624D-3*t121*t93*t111*t124-0.2571616712452254D-1
#*t130*t93*t141*t80+0.1285808356226127D-1*t92*t154*t54*t80
#-0.601985888182142D-4*t221*t54*t32*t138*t80
#+0.1285808356226127D-1*t92*t77*t162*t228-t114-t127-t144+t158-t161
vrhob(i) = vrhob(i)+0.1554534543482745D-1*rhoa*(1.D0*t162*t54
#+0.7777208750882749D2*t162*t74*t64*t172+(0.3278192763011299D1
#*t182-0.1714411141634836D-1*t113-0.5442133288270495D-3*t126
#-0.1028646684980902D0*t143+0.5143233424904509D-1*t157
#-0.2407943552728568D-3*t160)*t90*t97-1.D0*t194*t97*
#(0.4917289144516948D1*t182-0.2571616712452254D-1*t113
#-0.8163199932405743D-3*t126-0.1542970027471353D0*t143
#+0.7714850137356763D-1*t157-0.3611915329092852D-3*t160)+t91*t232)
t239 = sigmabb*t37
t241 = 0.6936084891727404D-1*t27+0.8778318595271399D-3*t239
t243 = t130*t110*t241
t244 = 0.2571616712452254D-1*t243
t245 = t65*t73
t247 = t245*t27*t80
t248 = 0.1222199328351994D-2*t247
t250 = t92*t110*t239
t251 = 0.2257447080683033D-4*t250
t252 = -t244+t248+t251
t264 = t175*(-0.1383609789223028D0*t243+0.6575812588638345D-2
#*t247+0.1214576754133604D-3*t250)
vsigmabb(i) = vsigmabb(i)+0.1554534543482745D-1*rhoa*(1.D0*t252
#*t54+0.7777208750882749D2*t252*t74*t64*t172+
#(0.3278192763011299D1*t264-0.1028646684980902D0*t243
#+0.4888797313407978D-2*t247+0.9029788322732131D-4*t250)*t90*t97
#-1.D0*t194*t97*(0.4917289144516948D1*t264-0.1542970027471353D0
#*t243+0.7333195970111966D-2*t247+0.135446824840982D-3*t250)+t91*
#(-0.2571616712452254D-1*t130*t93*t241*t80+0.1222199328351994D-2
#*t245*t27*t54*t80+0.2257447080683033D-4*t221*t54*sigmabb*t37*t80
#+0.1285808356226127D-1*t92*t77*t252*t228-t244+t248+t251))
endif
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhoa**2
t12 = rhoa**(1.D0/3.D0)
t13 = t12**2
t16 = sigmaaa/t13/t11
t18 = sigmaaa**2
t19 = t11**2
t23 = t18/t12/t19/rhoa
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhoa
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmaaa
t23 = rhoa**2
t24 = rhoa**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmaaa**2
t34 = t23**2
t37 = 1/t24/t34/rhoa
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t60 = 0.5683671053580832D-1*t59
t61 = dexp(-t60)
t63 = 0.942486901D0+0.349064173D0*t61
t64 = t63**2
t65 = 1/t64
t66 = t56*t65
t67 = sigmaaa*t27
t69 = t32*t37
t71 = 0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
t72 = t71**2
t73 = 1/t72
t74 = 1/t56
t77 = 0.1D1+0.9505299311782149D-1*t67*t74
t78 = t73*t77
t79 = 0.8778318595271399D-3*t69
t80 = dexp(t79)
t82 = t66*t78*t80
t83 = dsqrt(t82)
t86 = 0.6D1+0.4535739597862518D0*t83+0.5143233424904509D-1*t82
t89 = 0.3D1+0.6803609396793777D0*t83+0.7714850137356763D-1*t82
t90 = 1/t89
t91 = t86*t90
t92 = t66*t73
t93 = t77*t54
t97 = 0.1285808356226127D-1*t92*t93*t80+0.1D1
t98 = t91*t97
zk(i) = zk(i)+0.1554534543482745D-1*rhob*(1.D0*t54+t98)
t103 = t56**2
t106 = 1/t103*t65*t73
t107 = t77*t80
t108 = 1/t23
t110 = t106*t107*t108
t111 = 0.4286027854087091D-2*t110
t112 = t5**(1.D0/5.D0)
t113 = t112**2
t118 = 1/t113/t64/t63*t73
t121 = dexp(t79-t60)
t123 = t118*t77*t108*t121
t124 = 0.1360533322067624D-3*t123
t127 = t66/t72/t71
t131 = sigmaaa/t25/t23/rhoa
t135 = 1/t24/t34/t23
t136 = t32*t135
t138 = -0.1849622637793975D0*t131-0.234088495873904D-2*t136
t140 = t127*t107*t138
t141 = 0.2571616712452254D-1*t140
t151 = -0.2534746483141907D0*t131*t74+0.3168433103927383D-1
#*sigmaaa/t25/t34/t56/t5
t154 = t66*t73*t151*t80
t155 = 0.1285808356226127D-1*t154
t157 = t92*t107*t136
t158 = 0.601985888182142D-4*t157
t159 = -t111-t124-t141+t155-t158
t168 = dexp(-0.8778318595271399D-3*t69)
t169 = t72/t77*t168
t172 = 1/t83
t179 = t172*(-0.2306016315371713D-1*t110-0.7320092507805402D-3
#*t123-0.1383609789223028D0*t140+0.6918048946115138D-1*t154
#-0.3238871344356278D-3*t157)
t189 = t89**2
t191 = t86/t189
t218 = t66*t78
t225 = t54*t80
t229 = -0.4286027854087091D-2*t106*t93*t108*t80
#-0.1360533322067624D-3*t118*t93*t108*t121-0.2571616712452254D-1
#*t127*t93*t138*t80+0.1285808356226127D-1*t92*t151*t54*t80
#-0.601985888182142D-4*t218*t54*t32*t135*t80
#+0.1285808356226127D-1*t92*t77*t159*t225-t111-t124-t141+t155-t158
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*rhob*(1.D0*t159*t54
#+0.7777208750882749D2*t159*t74*t64*t169+(0.3278192763011299D1
#*t179-0.1714411141634836D-1*t110-0.5442133288270495D-3*t123
#-0.1028646684980902D0*t140+0.5143233424904509D-1*t154
#-0.2407943552728568D-3*t157)*t90*t97-1.D0*t191*t97*
#(0.4917289144516948D1*t179-0.2571616712452254D-1*t110
#-0.8163199932405743D-3*t123-0.1542970027471353D0*t140
#+0.7714850137356763D-1*t154-0.3611915329092852D-3*t157)+t91*t229)
vrhob(i) = vrhob(i)+0.1554534543482745D-1*t54
#+0.1554534543482745D-1*t98
t239 = sigmaaa*t37
t241 = 0.6936084891727404D-1*t27+0.8778318595271399D-3*t239
t243 = t127*t107*t241
t244 = 0.2571616712452254D-1*t243
t245 = t65*t73
t247 = t245*t27*t80
t248 = 0.1222199328351994D-2*t247
t250 = t92*t107*t239
t251 = 0.2257447080683033D-4*t250
t252 = -t244+t248+t251
t264 = t172*(-0.1383609789223028D0*t243+0.6575812588638345D-2
#*t247+0.1214576754133604D-3*t250)
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*rhob*(1.D0*t252
#*t54+0.7777208750882749D2*t252*t74*t64*t169+
#(0.3278192763011299D1*t264-0.1028646684980902D0*t243
#+0.4888797313407978D-2*t247+0.9029788322732131D-4*t250)*t90*t97
#-1.D0*t191*t97*(0.4917289144516948D1*t264-0.1542970027471353D0
#*t243+0.7333195970111966D-2*t247+0.135446824840982D-3*t250)+t91*
#(-0.2571616712452254D-1*t127*t93*t241*t80+0.1222199328351994D-2
#*t245*t27*t54*t80+0.2257447080683033D-4*t218*t54*sigmaaa*t37*t80
#+0.1285808356226127D-1*t92*t77*t252*t225-t244+t248+t251))
endif
endif ! rhoa,rhob
endif ! rho
enddo
else if(ideriv.eq.2) then
do i=1,npt
rhoa = dmax1(0.D0,rhoa1(i))
rhob = dmax1(0.D0,rhob1(i))
rho = rhoa+rhob
zk(i) = 0.D0
vrhoa(i) = 0.D0
vrhob(i) = 0.D0
vsigmaaa(i) = 0.D0
vsigmaab(i) = 0.D0
vsigmabb(i) = 0.D0
v2rhoa2(i) = 0.D0
v2rhob2(i) = 0.D0
v2rhoab(i) = 0.D0
v2rhoasigmaaa(i) = 0.D0
v2rhoasigmaab(i) = 0.D0
v2rhoasigmabb(i) = 0.D0
v2rhobsigmaaa(i) = 0.D0
v2rhobsigmaab(i) = 0.D0
v2rhobsigmabb(i) = 0.D0
v2sigmaaa2(i) = 0.D0
v2sigmaab2(i) = 0.D0
v2sigmabb2(i) = 0.D0
v2sigmaaaab(i) = 0.D0
v2sigmaaabb(i) = 0.D0
v2sigmaabbb(i) = 0.D0
if(rho.gt.tolmin) then
sigmaaa = dmax1(0.D0,sigmaaa1(i))
sigmaab = sigmaab1(i)
sigmabb = dmax1(0.D0,sigmabb1(i))
sigma = sigmaaa+sigmabb+2.D0*sigmaab
if(rhoa.gt.tolmin) then
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmaaa**2
t15 = rhoa**2
t16 = t15**2
t18 = rhoa**(1.D0/3.D0)
t21 = t14/t18/t16/rhoa
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.2481823842598833D0*sigmaaa/t26/t15/t2)
#*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rhoa
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.7395908974809453D0*t5+0.1075172860312113D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.3848347315591266D0*t4*t10)
t14 = rhoa*t13
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmaaa**2
t39 = rhoa**2
t40 = t39**2
t41 = t40*rhoa
t42 = rhoa**(1.D0/3.D0)
t44 = 1/t42/t41
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmaaa*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t77 = 0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75
t78 = t77**2
t79 = 1/t78
t80 = t3*t79
t81 = t37*t44
t83 = 0.1D1+0.4473229026479948D-1*t81
t84 = t83**2
t85 = 1/t84
t87 = 1/t3
t90 = 0.1D1+0.2481823842598833D0*sigmaaa*t55*t87
t91 = t85*t90
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t91*t93
t96 = dsqrt(t95)
t99 = 0.6D1+0.4535739597862518D0*t96+0.5143233424904509D-1*t95
t102 = 0.3D1+0.6803609396793777D0*t96+0.7714850137356763D-1*t95
t103 = 1/t102
t104 = t99*t103
t105 = t80*t85
t106 = t90*t67
t110 = 0.1285808356226127D-1*t105*t106*t93+0.1D1
t112 = 1.D0*t67+t104*t110
zk(i) = zk(i)+0.1554534543482745D-1*t14*t112
t116 = t13*t112
t118 = t87*t10
t119 = 1/t39
t123 = 1/t9/t8
t124 = t4*t123
t125 = t5**2
t126 = t125**2
t127 = t126*t5
t128 = 1/t127
t129 = t128*t119
t131 = 1/t4
t134 = -0.1232651495801576D0*t129-0.358390953437371D0*t131*t119
t137 = 0.2565564877060844D0*t118*t119+0.7696694631182532D0*t124
#*t134
t138 = rhoa*t137
t141 = t131*t79
t142 = t141*t85
t143 = t90*t93
t145 = t142*t143*t119
t146 = 0.4286027854087091D-2*t145
t148 = 1/t78/t77
t149 = t3*t148
t150 = t149*t85
t151 = t70**2
t153 = t151**2
t154 = t153*t151*t69
t155 = 1/t154
t161 = 0.5870805542307996D-1*t155*t119*t72-0.1229232435108575D0
#*t129*t75
t163 = t150*t143*t161
t164 = 0.2571616712452254D-1*t163
t166 = 1/t84/t83
t167 = t80*t166
t168 = t40*t39
t170 = 1/t42/t168
t171 = t37*t170
t172 = t143*t171
t173 = t167*t172
t174 = 0.613516294566526D-2*t173
t175 = t39*rhoa
t177 = 1/t53/t175
t182 = 1/t53/t40
t183 = sigmaaa*t182
t185 = 1/t3/t2
t188 = -0.6618196913596887D0*sigmaaa*t177*t87
#+0.8272746141996109D-1*t183*t185
t189 = t85*t188
t191 = t80*t189*t93
t192 = 0.1285808356226127D-1*t191
t193 = t105*t172
t194 = 0.613516294566526D-2*t193
t195 = -t146-t164+t174+t192-t194
t196 = t195*t67
t198 = -t195
t199 = t198*t87
t200 = t199*t78
t201 = 1/t90
t202 = t84*t201
t204 = dexp(-0.8946458052959895D-1*t81)
t205 = t202*t204
t208 = 1/t96
t214 = -0.2306016315371713D-1*t145-0.1383609789223028D0*t163
#+0.3300908517586267D-1*t173+0.6918048946115138D-1*t191
#-0.3300908517586267D-1*t193
t215 = t208*t214
t222 = 0.3278192763011299D1*t215-0.1714411141634836D-1*t145
#-0.1028646684980902D0*t163+0.2454065178266104D-1*t173
#+0.5143233424904509D-1*t191-0.2454065178266104D-1*t193
t223 = t222*t103
t225 = t102**2
t226 = 1/t225
t227 = t99*t226
t234 = 0.4917289144516948D1*t215-0.2571616712452254D-1*t145
#-0.1542970027471353D0*t163+0.3681097767399156D-1*t173
#+0.7714850137356763D-1*t191-0.3681097767399156D-1*t193
t235 = t110*t234
t238 = t119*t93
t242 = t161*t93
t246 = t166*t90
t247 = t80*t246
t248 = t67*t37
t249 = t170*t93
t250 = t248*t249
t253 = t188*t67
t257 = t80*t91
t261 = t67*t93
t265 = -0.4286027854087091D-2*t142*t106*t238
#-0.2571616712452254D-1*t150*t106*t242+0.613516294566526D-2*t247
#*t250+0.1285808356226127D-1*t105*t253*t93-0.613516294566526D-2
#*t257*t250+0.1285808356226127D-1*t105*t90*t195*t261-t146-t164
#+t174+t192-t194
t267 = 1.D0*t196-0.7777208750882749D2*t200*t205+t223*t110-1.D0
#*t227*t235+t104*t265
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t116
#+0.1554534543482745D-1*t138*t116+0.1554534543482745D-1*t14*t267
t271 = sigmaaa*t44
t272 = t143*t271
t273 = t167*t272
t274 = 0.2300686104624472D-2*t273
t275 = t79*t85
t276 = t55*t93
t277 = t275*t276
t278 = 0.3191149835494816D-2*t277
t279 = t105*t272
t280 = 0.2300686104624472D-2*t279
t281 = -t274+t278+t280
t282 = t281*t67
t284 = -t281
t285 = t284*t87
t292 = -0.123784069409485D-1*t273+0.1716937881873428D-1*t277
#+0.123784069409485D-1*t279
t293 = t208*t292
t298 = 0.3278192763011299D1*t293-0.9202744418497889D-2*t273
#+0.1276459934197926D-1*t277+0.9202744418497889D-2*t279
t299 = t298*t103
t305 = 0.4917289144516948D1*t293-0.1380411662774683D-1*t273
#+0.1914689901296889D-1*t277+0.1380411662774683D-1*t279
t306 = t110*t305
t309 = t67*sigmaaa
t310 = t44*t93
t311 = t309*t310
t324 = -0.2300686104624472D-2*t247*t311+0.3191149835494816D-2
#*t275*t55*t67*t93+0.2300686104624472D-2*t257*t311
#+0.1285808356226127D-1*t105*t90*t281*t261-t274+t278+t280
t326 = 1.D0*t282-0.7777208750882749D2*t285*t78*t205+t299*t110
#-1.D0*t227*t306+t104*t324
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*t14*t326
t333 = t13*t267
t336 = 1/t40
t343 = 1/t175
t346 = t9**2
t349 = t134**2
t354 = 1/t127/t2*t336
t356 = t128*t343
t359 = 1/t4/t2
t360 = t359*t336
t371 = t137**2
t377 = t141*t166
t378 = t40**2
t380 = 1/t42/t378
t382 = t143*t380*t37
t383 = t377*t382
t384 = 0.4090108630443506D-2*t383
t385 = t188*t93
t387 = t150*t385*t161
t388 = 0.5143233424904509D-1*t387
t410 = 0.5088031470000263D-1/t154/t2*t336*t72
#-0.1174161108461599D0*t155*t343*t72+0.4239903246622982D-2/t153
#/t70/t69/t2*t336*t72-0.1024360362590479D0*t354*t75
#+0.245846487021715D0*t356*t75-0.1757779186136125D-1*t360*t75
t412 = t150*t143*t410
t413 = 0.2571616712452254D-1*t412
t415 = t142*t385*t119
t416 = 0.8572055708174181D-2*t415
t418 = t142*t143*t343
t419 = 0.8572055708174181D-2*t418
t421 = t359*t79*t85
t423 = t421*t143*t336
t424 = 0.2857351902724727D-2*t423
t425 = t142*t382
t426 = 0.4090108630443506D-2*t425
t427 = t78**2
t430 = t3/t427*t85
t431 = t161**2
t433 = t430*t143*t431
t434 = 0.7714850137356763D-1*t433
t435 = t131*t148
t439 = t435*t85*t143*t119*t161
t440 = 0.1714411141634836D-1*t439
t443 = 1/t42/t40/t175
t445 = t143*t37*t443
t446 = t105*t445
t447 = 0.3885603198921331D-1*t446
t448 = t37**2
t451 = 1/t53/t378/t40
t453 = t143*t448*t451
t454 = t105*t453
t455 = 0.2927358823544966D-2*t454
t470 = 0.2426672201652192D1*t183*t87-0.606668050413048D0*sigmaaa
#/t53/t41*t185+0.1103032818932815D0*sigmaaa/t53/t168/t3/t119
t473 = t80*t85*t470*t93
t474 = 0.1285808356226127D-1*t473
t475 = t385*t171
t476 = t105*t475
t477 = 0.1227032589133052D-1*t476
t478 = t167*t453
t479 = 0.5854717647089932D-2*t478
t480 = t167*t445
t481 = 0.3885603198921331D-1*t480
t482 = t84**2
t483 = 1/t482
t484 = t80*t483
t485 = t484*t453
t486 = 0.4391038235317449D-2*t485
t487 = t167*t475
t488 = 0.1227032589133052D-1*t487
t489 = t149*t91
t490 = t242*t171
t491 = t489*t490
t492 = 0.2454065178266104D-1*t491
t493 = t149*t246
t494 = t493*t490
t495 = 0.2454065178266104D-1*t494
t496 = -t384-t388-t413-t416+t419-t424+t426+t434+t440+t447+t455
#+t474-t477-t479-t481+t486+t488+t492-t495
t499 = t195**2
t502 = t195*t198
t504 = t78*t84
t506 = t504*t201*t204
t514 = t198**2
t530 = t78*t83
t531 = t199*t530
t534 = t201*t37*t170*t204
t537 = t90**2
t539 = t84/t537
t544 = t199*t504
t586 = -0.2200605678390844D-1*t383-0.2767219578446055D0*t387
#-0.1383609789223028D0*t412-0.4612032630743426D-1*t415
#+0.4612032630743426D-1*t418-0.1537344210247809D-1*t423
#+0.2200605678390844D-1*t425+0.4150829367669083D0*t433
#+0.9224065261486851D-1*t439+0.2090575394471302D0*t446
#+0.1575010111426323D-1*t454+0.6918048946115138D-1*t473
#-0.6601817035172533D-1*t476-0.3150020222852647D-1*t478
#-0.2090575394471302D0*t480+0.2362515167139485D-1*t485
#+0.6601817035172533D-1*t487+0.1320363407034507D0*t491
#-0.1320363407034507D0*t494
t587 = t208*t586
t590 = 1/t96/t95
t591 = t214**2
t592 = t590*t591
t594 = 0.1170943529417986D-1*t454+0.5143233424904509D-1*t473
#-0.4908130356532208D-1*t476-0.2341887058835973D-1*t478
#-0.1554241279568532D0*t480+0.175641529412698D-1*t485
#+0.4908130356532208D-1*t487+0.9816260713064415D-1*t491
#-0.9816260713064415D-1*t494+0.3278192763011299D1*t587
#-0.2369304401100098D2*t592
t598 = t222*t226
t605 = t99/t225/t102
t606 = t234**2
t635 = 0.175641529412698D-1*t454+0.7714850137356763D-1*t473
#-0.7362195534798311D-1*t476-0.3512830588253959D-1*t478
#-0.2331361919352799D0*t480+0.263462294119047D-1*t485
#+0.7362195534798311D-1*t487+0.1472439106959662D0*t491
#-0.1472439106959662D0*t494+0.4917289144516948D1*t587
#-0.3553956601650148D2*t592
t640 = t67*t161
t641 = t171*t93
t642 = t640*t641
t656 = t141*t91
t662 = t67*t448*t451*t93
t668 = t80*t166*t188
t677 = t248*t443*t93
t681 = t80*t483*t90
t686 = t474+0.2454065178266104D-1*t489*t642
#+0.8572055708174181D-2*t142*t106*t343*t93-0.8572055708174181D-2
#*t142*t253*t238+0.1285808356226127D-1*t105*t470*t67*t93
#-0.8572055708174181D-2*t656*t196*t238-0.5854717647089932D-2*t247
#*t662+0.2927358823544966D-2*t257*t662+0.1227032589133052D-1*t668
#*t250+0.1714411141634836D-1*t435*t91*t67*t119*t242
#+0.3885603198921331D-1*t257*t677+0.4391038235317449D-2*t681*t662
#-0.3885603198921331D-1*t247*t677
t687 = t196*t641
t690 = t80*t189
t701 = 0.1227032589133052D-1*t247*t687-0.1227032589133052D-1
#*t690*t250-0.5143233424904509D-1*t489*t196*t242-t384-t388-t413
#-t416+t419-0.2454065178266104D-1*t493*t642-t424+t426
#-0.5143233424904509D-1*t150*t253*t242+t434
t713 = 0.1285808356226127D-1*t105*t90*t499*t261+t440+t447+t455
#-t477-t479-0.1227032589133052D-1*t257*t687-t481+t486+t488+t492
#-t495+0.7714850137356763D-1*t430*t106*t431*t93
t729 = 1/t77
t741 = 1/t83
t747 = t67*t380*t37*t93
t753 = t141*t246
t756 = -0.2857351902724727D-2*t421*t106*t336*t93
#+0.2571616712452254D-1*t105*t188*t195*t261+0.1285808356226127D-1
#*t105*t90*t496*t261+0.4771444294911944D0*t198*t37*t170+0.2D1
#*t729*t198*t161-0.1D1*t188*t198*t201-0.2571616712452254D-1*t150
#*t106*t410*t93-0.1D1*t514-0.4771444294911944D0*t741*t198*t171
#+0.4090108630443506D-2*t656*t747+0.3333333333333333D0*t2*t198
#-0.2D1*t502-0.4090108630443506D-2*t753*t747
s1 = 1.D0*t496*t67+1.D0*t499*t67-0.155544175017655D3*t502*t87
#*t506+0.7777208750882749D2*t496*t87*t78*t205
#-0.7777208750882749D2*t514*t87*t78*t205-0.2592402916960916D2
#*t198*t185*t78*t202*t119*t204-0.155544175017655D3*t199*t77*t202
#*t161*t204+0.3710851832473874D2*t531*t534
t760 = s1+0.7777208750882749D2*t200*t539*t188*t204
#-0.3710851832473874D2*t544*t534+(-0.1636043452177403D-1*t383
#-0.2057293369961804D0*t387-0.1028646684980902D0*t412
#-0.3428822283269673D-1*t415+0.3428822283269673D-1*t418
#-0.1142940761089891D-1*t423+0.1636043452177403D-1*t425
#+0.3085940054942705D0*t433+0.6857644566539345D-1*t439
#+0.1554241279568532D0*t446+t594)*t103*t110-2.D0*t598*t235+2.D0
#*t223*t265+2.D0*t605*t110*t606-2.D0*t227*t265*t234-1.D0*t227
#*t110*(-0.2454065178266104D-1*t383-0.3085940054942705D0*t387
#-0.1542970027471353D0*t412-0.5143233424904509D-1*t415
#+0.5143233424904509D-1*t418-0.1714411141634836D-1*t423
#+0.2454065178266104D-1*t425+0.4628910082414058D0*t433
#+0.1028646684980902D0*t439+0.2331361919352799D0*t446+t635)+t104*
#(t686+t701+t713+t756)
v2rhoa2(i) = v2rhoa2(i)+0.310906908696549D-1*t137*t13*t112
#+0.310906908696549D-1*t333+0.1554534543482745D-1*rhoa*
#(0.8551882923536146D-1*t185*t10*t336-0.1026225950824338D1*t87
#*t123*t119*t134-0.5131129754121688D0*t118*t343
#-0.2309008389354759D1*t4/t346*t349+0.7696694631182532D0*t124*(
#-0.1027209579834646D0*t354+0.2465302991603151D0*t356
#-0.2389273022915807D0*t360+0.7167819068747421D0*t131*t343))*t116
#+0.1554534543482745D-1*rhoa*t371*t116+0.310906908696549D-1*t138
#*t333+0.1554534543482745D-1*t14*t760
t764 = t13*t326
t769 = t143*t443*sigmaaa
t770 = t377*t769
t771 = 0.7668953682081574D-3*t770
t772 = t177*t79
t774 = t772*t85*t93
t775 = 0.1063716611831605D-2*t774
t776 = t142*t769
t777 = 0.7668953682081574D-3*t776
t778 = t242*t271
t779 = t493*t778
t780 = 0.4601372209248945D-2*t779
t781 = t148*t85
t783 = t781*t276*t161
t784 = 0.6382299670989632D-2*t783
t785 = t489*t778
t786 = 0.4601372209248945D-2*t785
t787 = t37*sigmaaa
t790 = 1/t53/t378/t175
t792 = t143*t787*t790
t793 = t484*t792
t794 = 0.1646639338244043D-2*t793
t795 = t79*t166
t797 = 1/t378/rhoa
t799 = t797*t93*t37
t800 = t795*t799
t801 = 0.1522639367678093D-2*t800
t802 = t167*t792
t803 = 0.2195519117658725D-2*t802
t805 = t143*sigmaaa*t170
t806 = t167*t805
t807 = 0.1227032589133052D-1*t806
t808 = t385*t271
t809 = t167*t808
t810 = 0.2300686104624472D-2*t809
t815 = -0.6618196913596887D0*t177*t87+0.8272746141996109D-1*t182
#*t185
t818 = t80*t85*t815*t93
t819 = 0.1285808356226127D-1*t818
t820 = t105*t808
t821 = 0.2300686104624472D-2*t820
t822 = t275*t799
t823 = 0.1522639367678093D-2*t822
t824 = t105*t792
t825 = 0.1097759558829362D-2*t824
t826 = t105*t805
t827 = 0.1227032589133052D-1*t826
t828 = t771-t775-t777+t780-t784-t786-t794+t801+t803+t807-t810
#+t819+t821-t823-t825-t827
t831 = t195*t281
t834 = t195*t284
t838 = t281*t198
t847 = t198*t284
t853 = t201*sigmaaa*t44*t204
t859 = t539*t55*t204
t865 = t590*t214*t292
t883 = 0.4126135646982833D-2*t770-0.5723126272911426D-2*t774
#-0.4126135646982833D-2*t776+0.24756813881897D-1*t779
#-0.3433875763746856D-1*t783-0.24756813881897D-1*t785
#-0.8859431876773069D-2*t793+0.8192273461183165D-2*t800
#+0.1181257583569743D-1*t802+0.6601817035172533D-1*t806
#-0.123784069409485D-1*t809+0.6918048946115138D-1*t818
#+0.123784069409485D-1*t820-0.8192273461183165D-2*t822
#-0.5906287917848713D-2*t824-0.6601817035172533D-1*t826
t884 = t208*t883
t902 = -0.2369304401100098D2*t865+0.3278192763011299D1*t884
#+0.306758147283263D-2*t770-0.4254866447326421D-2*t774
#-0.306758147283263D-2*t776+0.1840548883699578D-1*t779
#-0.2552919868395853D-1*t783-0.1840548883699578D-1*t785
#-0.6586557352976174D-2*t793+0.6090557470712371D-2*t800
#+0.8782076470634898D-2*t802+0.4908130356532208D-1*t806
#-0.9202744418497889D-2*t809+0.5143233424904509D-1*t818
#+0.9202744418497889D-2*t820-0.6090557470712371D-2*t822
#-0.4391038235317449D-2*t824-0.4908130356532208D-1*t826
t908 = t298*t226
t935 = -0.3553956601650148D2*t865+0.4917289144516948D1*t884
#+0.4601372209248945D-2*t770-0.6382299670989632D-2*t774
#-0.4601372209248945D-2*t776+0.2760823325549367D-1*t779
#-0.3829379802593779D-1*t783-0.2760823325549367D-1*t785
#-0.9879836029464261D-2*t793+0.9135836206068557D-2*t800
#+0.1317311470595235D-1*t802+0.7362195534798311D-1*t806
#-0.1380411662774683D-1*t809+0.7714850137356763D-1*t818
#+0.1380411662774683D-1*t820-0.9135836206068557D-2*t822
#-0.6586557352976174D-2*t824-0.7362195534798311D-1*t826
t943 = t271*t93
t944 = t196*t943
t947 = t275*t55
t951 = -0.2300686104624472D-2*t247*t944+t780+t771
#+0.3191149835494816D-2*t947*t196*t93-t777-t775-t794+t801+t803
#+t821-t823-t825
t952 = t640*t943
t963 = t67*t787*t790*t93
t966 = t309*t249
t974 = -t786-t784-t827-0.4601372209248945D-2*t489*t952
#+0.4601372209248945D-2*t493*t952-0.1063716611831605D-2*t772*t85
#*t67*t93+t819-0.1097759558829362D-2*t257*t963-t810+t807
#-0.1227032589133052D-1*t257*t966+0.1285808356226127D-1*t257*t831
#*t261+0.2195519117658725D-2*t247*t963
t978 = t67*t443*sigmaaa*t93
t989 = t282*t641
t1004 = t741*t284
t1010 = 0.7668953682081574D-3*t753*t978-0.6382299670989632D-2
#*t781*t55*t640*t93+0.1285808356226127D-1*t105*t815*t67*t93
#+0.613516294566526D-2*t247*t989-0.1D1*t834-0.613516294566526D-2
#*t257*t989+0.2D1*t729*t284*t161-0.1D1*t188*t284*t201
#+0.4771444294911944D0*t284*t37*t170-0.4771444294911944D0*t1004
#*t171+0.3333333333333333D0*t2*t284-0.1D1*t838
t1020 = t248*t93
t1045 = -0.1D1*t847-0.2571616712452254D-1*t489*t282*t242
#+0.1227032589133052D-1*t247*t966-0.1646639338244043D-2*t681*t963
#-0.1522639367678093D-2*t275*t797*t1020+0.1285808356226127D-1
#*t105*t188*t281*t261-0.7668953682081574D-3*t656*t978
#-0.4286027854087091D-2*t656*t282*t238+0.2300686104624472D-2*t690
#*t311+0.1285808356226127D-1*t105*t90*t828*t261
#+0.1522639367678093D-2*t795*t797*t1020+0.2300686104624472D-2
#*t257*t944-0.2300686104624472D-2*t668*t311
t1049 = 1.D0*t828*t67+1.D0*t831*t67-0.7777208750882749D2*t834
#*t87*t506-0.7777208750882749D2*t838*t87*t506
#+0.7777208750882749D2*t828*t87*t78*t205-0.7777208750882749D2
#*t847*t87*t506-0.1391569437177703D2*t531*t853
#+0.1930166210680909D2*t198*t131*t78*t859+0.1391569437177703D2
#*t544*t853+t902*t103*t110-1.D0*t598*t306+t223*t324-1.D0*t908
#*t235+2.D0*t605*t235*t305-1.D0*t227*t324*t234-1.D0*t227*t110
#*t935+t299*t265-1.D0*t227*t265*t305+t104*(t951+t974+t1010+t1045)
v2rhoasigmaaa(i) = v2rhoasigmaaa(i)+0.1554534543482745D-1*t764
#+0.1554534543482745D-1*t138*t764+0.1554534543482745D-1*t14*t1049
t1055 = 1/t53/t378/t39
t1057 = t143*t37*t1055
t1058 = t484*t1057
t1059 = 0.6174897518415163D-3*t1058
t1060 = 1/t378
t1062 = t1060*t93*sigmaaa
t1063 = t795*t1062
t1064 = 0.114197952575857D-2*t1063
t1065 = t167*t1057
t1066 = 0.8233196691220217D-3*t1065
t1067 = t143*t44
t1068 = t167*t1067
t1069 = 0.2300686104624472D-2*t1068
t1070 = t275*t1062
t1071 = 0.114197952575857D-2*t1070
t1072 = t105*t1057
t1073 = 0.4116598345610109D-3*t1072
t1074 = t105*t1067
t1075 = 0.2300686104624472D-2*t1074
t1076 = t1059-t1064-t1066-t1069+t1071+t1073+t1075
t1079 = t281**2
t1082 = t281*t284
t1091 = t284**2
t1106 = t292**2
t1107 = t590*t1106
t1117 = t208*(0.3322286953789901D-2*t1058-0.6144205095887373D-2
#*t1063-0.4429715938386535D-2*t1065-0.123784069409485D-1*t1068
#+0.6144205095887373D-2*t1070+0.2214857969193267D-2*t1072
#+0.123784069409485D-1*t1074)
t1133 = t305**2
t1154 = t309*t93
t1168 = t248*t1055*t93
t1171 = t282*t943
t1180 = t106*t310
t1185 = 0.114197952575857D-2*t275*t1060*t1154
#+0.6382299670989632D-2*t947*t282*t93-0.2481823842598833D0*t55
#*t284*t87*t201-0.114197952575857D-2*t795*t1060*t1154
#-0.8233196691220217D-3*t247*t1168-0.4601372209248945D-2*t247
#*t1171+0.1789291610591979D0*t1004*t271+0.6174897518415163D-3
#*t681*t1168+0.4116598345610109D-3*t257*t1168
#-0.2300686104624472D-2*t167*t1180-0.2D1*t1082-0.1D1*t1091
t1201 = 0.1285808356226127D-1*t105*t90*t1079*t261+t1059-t1064
#-t1066-t1069+t1071+t1073+t1075+0.4601372209248945D-2*t257*t1171
#-0.1789291610591979D0*t284*sigmaaa*t44+0.1285808356226127D-1
#*t105*t90*t1076*t261+0.2300686104624472D-2*t105*t1180
s1 = 1.D0*t1076*t67+1.D0*t1079*t67-0.155544175017655D3*t1082*t87
#*t506+0.7777208750882749D2*t1076*t87*t78*t205
#-0.7777208750882749D2*t1091*t87*t78*t205-0.1391569437177703D2
#*t285*t530*t853+0.1930166210680909D2*t284*t131*t78*t859
t1204 = s1+0.1391569437177703D2*t285*t504*t853+(
#-0.2369304401100098D2*t1107+0.3278192763011299D1*t1117
#+0.2469959007366065D-2*t1058-0.4567918103034278D-2*t1063
#-0.3293278676488087D-2*t1065-0.9202744418497889D-2*t1068
#+0.4567918103034278D-2*t1070+0.1646639338244043D-2*t1072
#+0.9202744418497889D-2*t1074)*t103*t110-2.D0*t908*t306+2.D0*t299
#*t324+2.D0*t605*t110*t1133-2.D0*t227*t324*t305-1.D0*t227*t110*(
#-0.3553956601650148D2*t1107+0.4917289144516948D1*t1117
#+0.3704938511049098D-2*t1058-0.6851877154551418D-2*t1063
#-0.493991801473213D-2*t1065-0.1380411662774683D-1*t1068
#+0.6851877154551418D-2*t1070+0.2469959007366065D-2*t1072
#+0.1380411662774683D-1*t1074)+t104*(t1185+t1201)
v2sigmaaa2(i) = v2sigmaaa2(i)+0.1554534543482745D-1*t14*t1204
endif
endif ! rhoa
if(rhob.gt.tolmin) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5416509560827845D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.8579886777788441D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigmabb**2
t15 = rhob**2
t16 = t15**2
t18 = rhob**(1.D0/3.D0)
t21 = t14/t18/t16/rhob
t24 = (0.1D1+0.4473229026479948D-1*t21)**2
t26 = t18**2
t36 = dexp(-0.4473229026479948D-1*t21)
t37 = t36**2
trcbb = t13*t24/(0.1D1+0.2481823842598833D0*sigmabb/t26/t15/t2)
#*t37
if(trsb.lt.tolmax*trcbb) then
t2 = 1/rhob
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.7395908974809453D0*t5+0.1075172860312113D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.3848347315591266D0*t4*t10)
t14 = rhob*t13
t15 = 0.3141592653589793D1**2
t18 = 1/0.3141592653589793D1*t2
t19 = t18**(1.D0/3.D0)
t21 = t18**(1.D0/15.D0)
t22 = t21**2
t24 = dexp(-0.630966299458536D0*t22)
t26 = t18**(1.D0/6.D0)
t28 = dexp(-0.1038340679664977D1*t26)
t31 = (0.1247511874D1+0.812904345D0*t24-0.859614445D0*t28)**2
t34 = 0.3141592653589793D1**(1.D0/3.D0)
t37 = sigmabb**2
t39 = rhob**2
t40 = t39**2
t41 = t40*rhob
t42 = rhob**(1.D0/3.D0)
t44 = 1/t42/t41
t45 = 1/t34/0.3141592653589793D1*t37*t44
t48 = (0.1D1+0.2058200272046996D0*t45)**2
t50 = t34**2
t53 = t42**2
t55 = 1/t53/t39
t63 = dexp(0.4116400544093991D0*t45)
t67 = expei(-0.1858628590577086D0/t15*t19/t31/t48*(0.1D1
#+0.3634859066227017D0/t50*sigmabb*t55/t19)*t63)
t69 = t2**(1.D0/15.D0)
t70 = t69**2
t72 = dexp(-0.5416509560827845D0*t70)
t75 = dexp(-0.8579886777788441D0*t5)
t77 = 0.1247511874D1+0.812904345D0*t72-0.859614445D0*t75
t78 = t77**2
t79 = 1/t78
t80 = t3*t79
t81 = t37*t44
t83 = 0.1D1+0.4473229026479948D-1*t81
t84 = t83**2
t85 = 1/t84
t87 = 1/t3
t90 = 0.1D1+0.2481823842598833D0*sigmabb*t55*t87
t91 = t85*t90
t93 = dexp(0.8946458052959895D-1*t81)
t95 = t80*t91*t93
t96 = dsqrt(t95)
t99 = 0.6D1+0.4535739597862518D0*t96+0.5143233424904509D-1*t95
t102 = 0.3D1+0.6803609396793777D0*t96+0.7714850137356763D-1*t95
t103 = 1/t102
t104 = t99*t103
t105 = t80*t85
t106 = t90*t67
t110 = 0.1285808356226127D-1*t105*t106*t93+0.1D1
t112 = 1.D0*t67+t104*t110
zk(i) = zk(i)+0.1554534543482745D-1*t14*t112
t116 = t13*t112
t118 = t87*t10
t119 = 1/t39
t123 = 1/t9/t8
t124 = t4*t123
t125 = t5**2
t126 = t125**2
t127 = t126*t5
t128 = 1/t127
t129 = t128*t119
t131 = 1/t4
t134 = -0.1232651495801576D0*t129-0.358390953437371D0*t131*t119
t137 = 0.2565564877060844D0*t118*t119+0.7696694631182532D0*t124
#*t134
t138 = rhob*t137
t141 = t131*t79
t142 = t141*t85
t143 = t90*t93
t145 = t142*t143*t119
t146 = 0.4286027854087091D-2*t145
t148 = 1/t78/t77
t149 = t3*t148
t150 = t149*t85
t151 = t70**2
t153 = t151**2
t154 = t153*t151*t69
t155 = 1/t154
t161 = 0.5870805542307996D-1*t155*t119*t72-0.1229232435108575D0
#*t129*t75
t163 = t150*t143*t161
t164 = 0.2571616712452254D-1*t163
t166 = 1/t84/t83
t167 = t80*t166
t168 = t40*t39
t170 = 1/t42/t168
t171 = t37*t170
t172 = t143*t171
t173 = t167*t172
t174 = 0.613516294566526D-2*t173
t175 = t39*rhob
t177 = 1/t53/t175
t182 = 1/t53/t40
t183 = sigmabb*t182
t185 = 1/t3/t2
t188 = -0.6618196913596887D0*sigmabb*t177*t87
#+0.8272746141996109D-1*t183*t185
t189 = t85*t188
t191 = t80*t189*t93
t192 = 0.1285808356226127D-1*t191
t193 = t105*t172
t194 = 0.613516294566526D-2*t193
t195 = -t146-t164+t174+t192-t194
t196 = t195*t67
t198 = -t195
t199 = t198*t87
t200 = t199*t78
t201 = 1/t90
t202 = t84*t201
t204 = dexp(-0.8946458052959895D-1*t81)
t205 = t202*t204
t208 = 1/t96
t214 = -0.2306016315371713D-1*t145-0.1383609789223028D0*t163
#+0.3300908517586267D-1*t173+0.6918048946115138D-1*t191
#-0.3300908517586267D-1*t193
t215 = t208*t214
t222 = 0.3278192763011299D1*t215-0.1714411141634836D-1*t145
#-0.1028646684980902D0*t163+0.2454065178266104D-1*t173
#+0.5143233424904509D-1*t191-0.2454065178266104D-1*t193
t223 = t222*t103
t225 = t102**2
t226 = 1/t225
t227 = t99*t226
t234 = 0.4917289144516948D1*t215-0.2571616712452254D-1*t145
#-0.1542970027471353D0*t163+0.3681097767399156D-1*t173
#+0.7714850137356763D-1*t191-0.3681097767399156D-1*t193
t235 = t110*t234
t238 = t119*t93
t242 = t161*t93
t246 = t166*t90
t247 = t80*t246
t248 = t67*t37
t249 = t170*t93
t250 = t248*t249
t253 = t188*t67
t257 = t80*t91
t261 = t67*t93
t265 = -0.4286027854087091D-2*t142*t106*t238
#-0.2571616712452254D-1*t150*t106*t242+0.613516294566526D-2*t247
#*t250+0.1285808356226127D-1*t105*t253*t93-0.613516294566526D-2
#*t257*t250+0.1285808356226127D-1*t105*t90*t195*t261-t146-t164
#+t174+t192-t194
t267 = 1.D0*t196-0.7777208750882749D2*t200*t205+t223*t110-1.D0
#*t227*t235+t104*t265
vrhob(i) = vrhob(i)+0.1554534543482745D-1*t116
#+0.1554534543482745D-1*t138*t116+0.1554534543482745D-1*t14*t267
t271 = sigmabb*t44
t272 = t143*t271
t273 = t167*t272
t274 = 0.2300686104624472D-2*t273
t275 = t79*t85
t276 = t55*t93
t277 = t275*t276
t278 = 0.3191149835494816D-2*t277
t279 = t105*t272
t280 = 0.2300686104624472D-2*t279
t281 = -t274+t278+t280
t282 = t281*t67
t284 = -t281
t292 = -0.123784069409485D-1*t273+0.1716937881873428D-1*t277
#+0.123784069409485D-1*t279
t293 = t208*t292
t298 = 0.3278192763011299D1*t293-0.9202744418497889D-2*t273
#+0.1276459934197926D-1*t277+0.9202744418497889D-2*t279
t299 = t298*t103
t305 = 0.4917289144516948D1*t293-0.1380411662774683D-1*t273
#+0.1914689901296889D-1*t277+0.1380411662774683D-1*t279
t306 = t110*t305
t309 = t67*sigmabb
t311 = t309*t44*t93
t324 = -0.2300686104624472D-2*t247*t311+0.3191149835494816D-2
#*t275*t55*t67*t93+0.2300686104624472D-2*t257*t311
#+0.1285808356226127D-1*t105*t90*t281*t261-t274+t278+t280
t326 = 1.D0*t282-0.7777208750882749D2*t284*t87*t78*t205+t299
#*t110-1.D0*t227*t306+t104*t324
vsigmabb(i) = vsigmabb(i)+0.1554534543482745D-1*t14*t326
t333 = t13*t267
t336 = 1/t40
t343 = 1/t175
t346 = t9**2
t349 = t134**2
t354 = 1/t127/t2*t336
t356 = t128*t343
t359 = 1/t4/t2
t360 = t359*t336
t371 = t137**2
t377 = t78**2
t380 = t3/t377*t85
t381 = t161**2
t383 = t380*t143*t381
t384 = 0.7714850137356763D-1*t383
t385 = t40**2
t387 = 1/t42/t385
t389 = t143*t387*t37
t390 = t142*t389
t391 = 0.4090108630443506D-2*t390
t392 = t141*t166
t393 = t392*t389
t394 = 0.4090108630443506D-2*t393
t396 = t359*t79*t85
t398 = t396*t143*t336
t399 = 0.2857351902724727D-2*t398
t401 = t142*t143*t343
t402 = 0.8572055708174181D-2*t401
t403 = t188*t93
t405 = t142*t403*t119
t406 = 0.8572055708174181D-2*t405
t407 = t131*t148
t411 = t407*t85*t143*t119*t161
t412 = 0.1714411141634836D-1*t411
t413 = t149*t246
t414 = t242*t171
t415 = t413*t414
t416 = 0.2454065178266104D-1*t415
t438 = 0.5088031470000263D-1/t154/t2*t336*t72
#-0.1174161108461599D0*t155*t343*t72+0.4239903246622982D-2/t153
#/t70/t69/t2*t336*t72-0.1024360362590479D0*t354*t75
#+0.245846487021715D0*t356*t75-0.1757779186136125D-1*t360*t75
t440 = t150*t143*t438
t441 = 0.2571616712452254D-1*t440
t443 = t150*t403*t161
t444 = 0.5143233424904509D-1*t443
t445 = t37**2
t448 = 1/t53/t385/t40
t450 = t143*t445*t448
t451 = t105*t450
t452 = 0.2927358823544966D-2*t451
t455 = 1/t42/t40/t175
t457 = t143*t37*t455
t458 = t105*t457
t459 = 0.3885603198921331D-1*t458
t460 = t403*t171
t461 = t105*t460
t462 = 0.1227032589133052D-1*t461
t477 = 0.2426672201652192D1*t183*t87-0.606668050413048D0*sigmabb
#/t53/t41*t185+0.1103032818932815D0*sigmabb/t53/t168/t3/t119
t480 = t80*t85*t477*t93
t481 = 0.1285808356226127D-1*t480
t482 = t84**2
t483 = 1/t482
t484 = t80*t483
t485 = t484*t450
t486 = 0.4391038235317449D-2*t485
t487 = t167*t450
t488 = 0.5854717647089932D-2*t487
t489 = t167*t457
t490 = 0.3885603198921331D-1*t489
t491 = t167*t460
t492 = 0.1227032589133052D-1*t491
t493 = t149*t91
t494 = t493*t414
t495 = 0.2454065178266104D-1*t494
t496 = t384+t391-t394-t399+t402-t406+t412-t416-t441-t444+t452
#+t459-t462+t481+t486-t488-t490+t492+t495
t499 = t195**2
t502 = t195*t198
t504 = t78*t84
t506 = t504*t201*t204
t514 = t198**2
t531 = t199*t78*t83
t534 = t201*t37*t170*t204
t537 = t90**2
t539 = t84/t537
t544 = t199*t504
t568 = 1/t96/t95
t569 = t214**2
t570 = t568*t569
t591 = 0.4150829367669083D0*t383+0.2200605678390844D-1*t390
#-0.2200605678390844D-1*t393-0.1537344210247809D-1*t398
#+0.4612032630743426D-1*t401-0.4612032630743426D-1*t405
#+0.9224065261486851D-1*t411-0.1320363407034507D0*t415
#-0.1383609789223028D0*t440-0.2767219578446055D0*t443
#+0.1575010111426323D-1*t451+0.2090575394471302D0*t458
#-0.6601817035172533D-1*t461+0.6918048946115138D-1*t480
#+0.2362515167139485D-1*t485-0.3150020222852647D-1*t487
#-0.2090575394471302D0*t489+0.6601817035172533D-1*t491
#+0.1320363407034507D0*t494
t592 = t208*t591
t594 = 0.1170943529417986D-1*t451+0.1554241279568532D0*t458
#-0.4908130356532208D-1*t461+0.5143233424904509D-1*t480
#+0.175641529412698D-1*t485-0.2341887058835973D-1*t487
#-0.1554241279568532D0*t489+0.4908130356532208D-1*t491
#+0.9816260713064415D-1*t494-0.2369304401100098D2*t570
#+0.3278192763011299D1*t592
t598 = t222*t226
t605 = t99/t225/t102
t606 = t234**2
t635 = 0.175641529412698D-1*t451+0.2331361919352799D0*t458
#-0.7362195534798311D-1*t461+0.7714850137356763D-1*t480
#+0.263462294119047D-1*t485-0.3512830588253959D-1*t487
#-0.2331361919352799D0*t489+0.7362195534798311D-1*t491
#+0.1472439106959662D0*t494-0.3553956601650148D2*t570
#+0.4917289144516948D1*t592
t648 = t141*t91
t651 = t67*t387*t37*t93
t661 = t141*t246
t673 = t248*t455*t93
t677 = t80*t166*t188
t683 = t80*t189
t686 = 0.8572055708174181D-2*t142*t106*t343*t93
#+0.7714850137356763D-1*t380*t106*t381*t93+0.4090108630443506D-2
#*t648*t651-0.8572055708174181D-2*t142*t253*t238
#-0.5143233424904509D-1*t150*t253*t242-0.2D1*t502
#-0.4090108630443506D-2*t661*t651-0.2857351902724727D-2*t396*t106
#*t336*t93-0.2571616712452254D-1*t150*t106*t438*t93
#+0.3885603198921331D-1*t257*t673+0.1227032589133052D-1*t677*t250
#-0.8572055708174181D-2*t648*t196*t238-0.1227032589133052D-1*t683
#*t250
t688 = t80*t483*t90
t691 = t67*t445*t448*t93
t694 = t171*t93
t695 = t196*t694
t709 = t67*t161
t710 = t709*t694
t727 = 0.4391038235317449D-2*t688*t691-0.1227032589133052D-1
#*t257*t695+0.2571616712452254D-1*t105*t188*t195*t261
#+0.2927358823544966D-2*t257*t691+0.1714411141634836D-1*t407*t91
#*t67*t119*t242-0.2454065178266104D-1*t413*t710+t391
#+0.2454065178266104D-1*t493*t710-0.3885603198921331D-1*t247*t673
#+0.3333333333333333D0*t2*t198+0.1285808356226127D-1*t105*t90
#*t499*t261+0.1227032589133052D-1*t247*t695-0.5854717647089932D-2
#*t247*t691
t736 = 0.1285808356226127D-1*t105*t477*t67*t93-t394-t399+t402
#-0.5143233424904509D-1*t493*t196*t242+t384-t441-t444+t452-t416
#+t412-t406-t488
t745 = 1/t77
t752 = 1/t83
t756 = -t490+t492+t459-t462+t481+t486+t495+0.1285808356226127D-1
#*t105*t90*t496*t261-0.1D1*t514-0.1D1*t188*t198*t201+0.2D1*t745
#*t198*t161+0.4771444294911944D0*t198*t37*t170
#-0.4771444294911944D0*t752*t198*t171
s1 = 1.D0*t496*t67+1.D0*t499*t67-0.155544175017655D3*t502*t87
#*t506+0.7777208750882749D2*t496*t87*t78*t205
#-0.7777208750882749D2*t514*t87*t78*t205-0.2592402916960916D2
#*t198*t185*t78*t202*t119*t204-0.155544175017655D3*t199*t77*t202
#*t161*t204+0.3710851832473874D2*t531*t534
t760 = s1+0.7777208750882749D2*t200*t539*t188*t204
#-0.3710851832473874D2*t544*t534+(0.3085940054942705D0*t383
#+0.1636043452177403D-1*t390-0.1636043452177403D-1*t393
#-0.1142940761089891D-1*t398+0.3428822283269673D-1*t401
#-0.3428822283269673D-1*t405+0.6857644566539345D-1*t411
#-0.9816260713064415D-1*t415-0.1028646684980902D0*t440
#-0.2057293369961804D0*t443+t594)*t103*t110-2.D0*t598*t235+2.D0
#*t223*t265+2.D0*t605*t110*t606-2.D0*t227*t265*t234-1.D0*t227
#*t110*(0.4628910082414058D0*t383+0.2454065178266104D-1*t390
#-0.2454065178266104D-1*t393-0.1714411141634836D-1*t398
#+0.5143233424904509D-1*t401-0.5143233424904509D-1*t405
#+0.1028646684980902D0*t411-0.1472439106959662D0*t415
#-0.1542970027471353D0*t440-0.3085940054942705D0*t443+t635)+t104*
#(t686+t727+t736+t756)
v2rhob2(i) = v2rhob2(i)+0.310906908696549D-1*t137*t13*t112
#+0.310906908696549D-1*t333+0.1554534543482745D-1*rhob*
#(0.8551882923536146D-1*t185*t10*t336-0.1026225950824338D1*t87
#*t123*t119*t134-0.5131129754121688D0*t118*t343
#-0.2309008389354759D1*t4/t346*t349+0.7696694631182532D0*t124*(
#-0.1027209579834646D0*t354+0.2465302991603151D0*t356
#-0.2389273022915807D0*t360+0.7167819068747421D0*t131*t343))*t116
#+0.1554534543482745D-1*rhob*t371*t116+0.310906908696549D-1*t138
#*t333+0.1554534543482745D-1*t14*t760
t764 = t13*t326
t769 = t143*t455*sigmabb
t770 = t392*t769
t771 = 0.7668953682081574D-3*t770
t772 = t177*t79
t774 = t772*t85*t93
t775 = 0.1063716611831605D-2*t774
t776 = t142*t769
t777 = 0.7668953682081574D-3*t776
t778 = t242*t271
t779 = t413*t778
t780 = 0.4601372209248945D-2*t779
t781 = t148*t85
t783 = t781*t276*t161
t784 = 0.6382299670989632D-2*t783
t785 = t493*t778
t786 = 0.4601372209248945D-2*t785
t787 = t37*sigmabb
t790 = 1/t53/t385/t175
t792 = t143*t787*t790
t793 = t484*t792
t794 = 0.1646639338244043D-2*t793
t795 = t79*t166
t797 = 1/t385/rhob
t799 = t797*t93*t37
t800 = t795*t799
t801 = 0.1522639367678093D-2*t800
t802 = t167*t792
t803 = 0.2195519117658725D-2*t802
t805 = t143*sigmabb*t170
t806 = t167*t805
t807 = 0.1227032589133052D-1*t806
t808 = t403*t271
t809 = t167*t808
t810 = 0.2300686104624472D-2*t809
t815 = -0.6618196913596887D0*t177*t87+0.8272746141996109D-1*t182
#*t185
t818 = t80*t85*t815*t93
t819 = 0.1285808356226127D-1*t818
t820 = t105*t808
t821 = 0.2300686104624472D-2*t820
t822 = t275*t799
t823 = 0.1522639367678093D-2*t822
t824 = t105*t792
t825 = 0.1097759558829362D-2*t824
t826 = t105*t805
t827 = 0.1227032589133052D-1*t826
t828 = t771-t775-t777+t780-t784-t786-t794+t801+t803+t807-t810
#+t819+t821-t823-t825-t827
t831 = t195*t281
t834 = t195*t284
t838 = t281*t198
t847 = t198*t284
t853 = t201*sigmabb*t44*t204
t865 = t568*t214*t292
t883 = 0.4126135646982833D-2*t770-0.5723126272911426D-2*t774
#-0.4126135646982833D-2*t776+0.24756813881897D-1*t779
#-0.3433875763746856D-1*t783-0.24756813881897D-1*t785
#-0.8859431876773069D-2*t793+0.8192273461183165D-2*t800
#+0.1181257583569743D-1*t802+0.6601817035172533D-1*t806
#-0.123784069409485D-1*t809+0.6918048946115138D-1*t818
#+0.123784069409485D-1*t820-0.8192273461183165D-2*t822
#-0.5906287917848713D-2*t824-0.6601817035172533D-1*t826
t884 = t208*t883
t902 = -0.2369304401100098D2*t865+0.3278192763011299D1*t884
#+0.306758147283263D-2*t770-0.4254866447326421D-2*t774
#-0.306758147283263D-2*t776+0.1840548883699578D-1*t779
#-0.2552919868395853D-1*t783-0.1840548883699578D-1*t785
#-0.6586557352976174D-2*t793+0.6090557470712371D-2*t800
#+0.8782076470634898D-2*t802+0.4908130356532208D-1*t806
#-0.9202744418497889D-2*t809+0.5143233424904509D-1*t818
#+0.9202744418497889D-2*t820-0.6090557470712371D-2*t822
#-0.4391038235317449D-2*t824-0.4908130356532208D-1*t826
t935 = -0.3553956601650148D2*t865+0.4917289144516948D1*t884
#+0.4601372209248945D-2*t770-0.6382299670989632D-2*t774
#-0.4601372209248945D-2*t776+0.2760823325549367D-1*t779
#-0.3829379802593779D-1*t783-0.2760823325549367D-1*t785
#-0.9879836029464261D-2*t793+0.9135836206068557D-2*t800
#+0.1317311470595235D-1*t802+0.7362195534798311D-1*t806
#-0.1380411662774683D-1*t809+0.7714850137356763D-1*t818
#+0.1380411662774683D-1*t820-0.9135836206068557D-2*t822
#-0.6586557352976174D-2*t824-0.7362195534798311D-1*t826
t950 = t282*t694
t959 = t67*t787*t790*t93
t972 = -0.4771444294911944D0*t752*t284*t171+0.3333333333333333D0
#*t2*t284-0.1D1*t847-0.1D1*t838-0.613516294566526D-2*t257*t950
#-0.1D1*t834+0.4771444294911944D0*t284*t37*t170
#-0.1646639338244043D-2*t688*t959-0.1063716611831605D-2*t772*t85
#*t67*t93+0.2D1*t745*t284*t161-0.1D1*t188*t284*t201-t775
t977 = t271*t93
t978 = t196*t977
t992 = t248*t93
t995 = t309*t249
t998 = 0.2300686104624472D-2*t683*t311-0.1097759558829362D-2
#*t257*t959-0.2300686104624472D-2*t247*t978+0.613516294566526D-2
#*t247*t950+0.1285808356226127D-1*t105*t815*t67*t93
#+0.1285808356226127D-1*t105*t188*t281*t261-0.1522639367678093D-2
#*t275*t797*t992-0.1227032589133052D-1*t257*t995-t786-t794+t801
#+t803+t807
t1009 = t709*t977
t1022 = -t810+t819+0.1285808356226127D-1*t105*t90*t828*t261
#+0.1285808356226127D-1*t257*t831*t261+0.2300686104624472D-2*t257
#*t978+0.4601372209248945D-2*t413*t1009-t784
#-0.6382299670989632D-2*t781*t55*t709*t93+t780
#-0.2571616712452254D-1*t493*t282*t242+t771+0.1522639367678093D-2
#*t795*t797*t992
t1032 = t67*t455*sigmabb*t93
t1045 = -t777-0.4286027854087091D-2*t648*t282*t238+t821-t823
#-t825-t827-0.4601372209248945D-2*t493*t1009
#+0.1227032589133052D-1*t247*t995-0.7668953682081574D-3*t648
#*t1032+0.7668953682081574D-3*t661*t1032+0.2195519117658725D-2
#*t247*t959+0.3191149835494816D-2*t275*t55*t196*t93
#-0.2300686104624472D-2*t677*t311
t1049 = 1.D0*t828*t67+1.D0*t831*t67-0.7777208750882749D2*t834
#*t87*t506-0.7777208750882749D2*t838*t87*t506
#+0.7777208750882749D2*t828*t87*t78*t205-0.7777208750882749D2
#*t847*t87*t506-0.1391569437177703D2*t531*t853
#+0.1930166210680909D2*t198*t131*t78*t539*t55*t204
#+0.1391569437177703D2*t544*t853+t902*t103*t110-1.D0*t598*t306
#+t223*t324-1.D0*t298*t226*t235+2.D0*t605*t235*t305-1.D0*t227
#*t324*t234-1.D0*t227*t110*t935+t299*t265-1.D0*t227*t265*t305
#+t104*(t972+t998+t1022+t1045)
v2rhobsigmabb(i) = v2rhobsigmabb(i)+0.1554534543482745D-1*t764
#+0.1554534543482745D-1*t138*t764+0.1554534543482745D-1*t14*t1049
v2sigmabb2(i) = v2sigmabb2(i)
endif
endif ! rhob
if ((rhoa.gt.tolmin).and.(rhob.gt.tolmin)) then
t1 = 1/rhob
t2 = t1**(1.D0/3.D0)
trsb = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhob**2
t12 = rhob**(1.D0/3.D0)
t13 = t12**2
t16 = sigmabb/t13/t11
t18 = sigmabb**2
t19 = t11**2
t23 = t18/t12/t19/rhob
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcab = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsb.lt.tolmax*trcab) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhob
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmabb
t23 = rhob**2
t24 = rhob**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmabb**2
t34 = t23**2
t35 = t34*rhob
t37 = 1/t24/t35
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t60 = 0.5683671053580832D-1*t59
t61 = dexp(-t60)
t63 = 0.942486901D0+0.349064173D0*t61
t64 = t63**2
t65 = 1/t64
t66 = t56*t65
t67 = sigmabb*t27
t69 = t32*t37
t71 = 0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
t72 = t71**2
t73 = 1/t72
t74 = 1/t56
t77 = 0.1D1+0.9505299311782149D-1*t67*t74
t78 = t73*t77
t79 = 0.8778318595271399D-3*t69
t80 = dexp(t79)
t82 = t66*t78*t80
t83 = dsqrt(t82)
t86 = 0.6D1+0.4535739597862518D0*t83+0.5143233424904509D-1*t82
t89 = 0.3D1+0.6803609396793777D0*t83+0.7714850137356763D-1*t82
t90 = 1/t89
t91 = t86*t90
t92 = t66*t73
t93 = t77*t54
t97 = 0.1285808356226127D-1*t92*t93*t80+0.1D1
t98 = t91*t97
zk(i) = zk(i)+0.1554534543482745D-1*rhoa*(1.D0*t54+t98)
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t54
#+0.1554534543482745D-1*t98
t106 = t56**2
t107 = 1/t106
t108 = t107*t65
t109 = t108*t73
t110 = t77*t80
t111 = 1/t23
t113 = t109*t110*t111
t114 = 0.4286027854087091D-2*t113
t115 = t5**(1.D0/5.D0)
t116 = t115**2
t119 = 1/t64/t63
t120 = 1/t116*t119
t121 = t120*t73
t122 = t77*t111
t124 = dexp(t79-t60)
t126 = t121*t122*t124
t127 = 0.1360533322067624D-3*t126
t129 = 1/t72/t71
t130 = t66*t129
t131 = t23*rhob
t133 = 1/t25/t131
t134 = sigmabb*t133
t136 = t34*t23
t138 = 1/t24/t136
t139 = t32*t138
t141 = -0.1849622637793975D0*t134-0.234088495873904D-2*t139
t143 = t130*t110*t141
t144 = 0.2571616712452254D-1*t143
t148 = 1/t25/t34
t149 = sigmabb*t148
t151 = 1/t56/t5
t154 = -0.2534746483141907D0*t134*t74+0.3168433103927383D-1*t149
#*t151
t155 = t73*t154
t157 = t66*t155*t80
t158 = 0.1285808356226127D-1*t157
t160 = t92*t110*t139
t161 = 0.601985888182142D-4*t160
t162 = -t114-t127-t144+t158-t161
t163 = t162*t54
t165 = -t162
t166 = t165*t74
t167 = t166*t64
t168 = 1/t77
t169 = t72*t168
t170 = 0.8778318595271399D-3*t69
t171 = dexp(-t170)
t172 = t169*t171
t173 = t167*t172
t175 = 1/t83
t181 = -0.2306016315371713D-1*t113-0.7320092507805402D-3*t126
#-0.1383609789223028D0*t143+0.6918048946115138D-1*t157
#-0.3238871344356278D-3*t160
t182 = t175*t181
t189 = 0.3278192763011299D1*t182-0.1714411141634836D-1*t113
#-0.5442133288270495D-3*t126-0.1028646684980902D0*t143
#+0.5143233424904509D-1*t157-0.2407943552728568D-3*t160
t190 = t189*t90
t191 = t190*t97
t192 = t89**2
t193 = 1/t192
t194 = t86*t193
t201 = 0.4917289144516948D1*t182-0.2571616712452254D-1*t113
#-0.8163199932405743D-3*t126-0.1542970027471353D0*t143
#+0.7714850137356763D-1*t157-0.3611915329092852D-3*t160
t202 = t97*t201
t203 = t194*t202
t205 = t111*t80
t209 = t111*t124
t213 = t141*t80
t217 = t154*t54
t221 = t66*t78
t222 = t54*t32
t223 = t138*t80
t224 = t222*t223
t228 = t54*t80
t232 = -0.4286027854087091D-2*t109*t93*t205
#-0.1360533322067624D-3*t121*t93*t209-0.2571616712452254D-1*t130
#*t93*t213+0.1285808356226127D-1*t92*t217*t80
#-0.601985888182142D-4*t221*t224+0.1285808356226127D-1*t92*t77
#*t162*t228-t114-t127-t144+t158-t161
t233 = t91*t232
vrhob(i) = vrhob(i)+0.1554534543482745D-1*rhoa*(1.D0*t163
#-0.7777208750882749D2*t173+t191-1.D0*t203+t233)
t239 = sigmabb*t37
t241 = 0.6936084891727404D-1*t27+0.8778318595271399D-3*t239
t243 = t130*t110*t241
t244 = 0.2571616712452254D-1*t243
t245 = t65*t73
t246 = t27*t80
t247 = t245*t246
t248 = 0.1222199328351994D-2*t247
t250 = t92*t110*t239
t251 = 0.2257447080683033D-4*t250
t252 = -t244+t248+t251
t253 = t252*t54
t255 = -t252
t256 = t255*t74
t257 = t256*t64
t258 = t257*t172
t263 = -0.1383609789223028D0*t243+0.6575812588638345D-2*t247
#+0.1214576754133604D-3*t250
t264 = t175*t263
t269 = 0.3278192763011299D1*t264-0.1028646684980902D0*t243
#+0.4888797313407978D-2*t247+0.9029788322732131D-4*t250
t270 = t269*t90
t271 = t270*t97
t276 = 0.4917289144516948D1*t264-0.1542970027471353D0*t243
#+0.7333195970111966D-2*t247+0.135446824840982D-3*t250
t277 = t97*t276
t278 = t194*t277
t280 = t241*t80
t288 = t54*sigmabb
t289 = t37*t80
t290 = t288*t289
t297 = -0.2571616712452254D-1*t130*t93*t280
#+0.1222199328351994D-2*t245*t27*t54*t80+0.2257447080683033D-4
#*t221*t290+0.1285808356226127D-1*t92*t77*t252*t228-t244+t248+t251
t298 = t91*t297
vsigmabb(i) = vsigmabb(i)+0.1554534543482745D-1*rhoa*(1.D0*t253
#-0.7777208750882749D2*t258+t271-1.D0*t278+t298)
v2rhoa2(i) = v2rhoa2(i)
v2rhoab(i) = v2rhoab(i)+0.1554534543482745D-1*t163
#-0.1208993965512352D1*t173+0.1554534543482745D-1*t191
#-0.1554534543482745D-1*t203+0.1554534543482745D-1*t233
t311 = t121*t154*t111*t124
t312 = 0.2721066644135248D-3*t311
t316 = 1/t24/t34/t131
t317 = t32*t316
t319 = 0.678194967191124D0*t149+0.1482560473868058D-1*t317
t321 = t130*t110*t319
t322 = 0.2571616712452254D-1*t321
t323 = t129*t77
t324 = t66*t323
t326 = t324*t213*t139
t327 = 0.2407943552728568D-3*t326
t342 = 0.9294070438186991D0*t149*t74-0.2323517609546748D0
#*sigmabb/t25/t35*t151+0.4224577471903178D-1*sigmabb/t25/t136/t56
#/t111
t345 = t66*t73*t342*t80
t346 = 0.1285808356226127D-1*t345
t347 = t32**2
t348 = t34**2
t351 = 1/t25/t348/t34
t354 = t92*t110*t347*t351
t355 = 0.2818359422037475D-6*t354
t357 = t92*t110*t317
t358 = 0.3812577291820233D-3*t357
t359 = t154*t80
t361 = t92*t359*t139
t362 = 0.1203971776364284D-3*t361
t364 = t130*t359*t141
t365 = 0.5143233424904509D-1*t364
t367 = 1/t58/t5
t368 = t64**2
t371 = t367/t368*t73
t372 = 1/t34
t373 = t77*t372
t376 = dexp(t79-0.1136734210716166D0*t59)
t378 = t371*t373*t376
t379 = 0.2159401412535421D-5*t378
t381 = 1/t24/t348
t383 = t32*t124
t385 = t121*t77*t381*t383
t386 = 0.1273940795796543D-5*t385
t388 = t367*t119*t73
t389 = t373*t124
t390 = t388*t389
t391 = 0.2062086362684779D-5*t390
t392 = t72**2
t393 = 1/t392
t394 = t66*t393
t395 = t141**2
t397 = t394*t110*t395
t398 = 0.7714850137356763D-1*t397
t399 = 1/t131
t402 = t121*t77*t399*t124
t403 = 0.2721066644135248D-3*t402
t404 = t120*t129
t405 = t141*t124
t407 = t404*t122*t405
t408 = 0.5442133288270495D-3*t407
t410 = t109*t110*t399
t411 = 0.8572055708174181D-2*t410
t415 = 1/t106/t5*t65*t73
t417 = t415*t110*t372
t418 = 0.2857351902724727D-2*t417
t422 = 1/t116/t5*t119*t73
t423 = t422*t389
t424 = 0.9070222147117492D-5*t423
t427 = t109*t110*t381*t32
t428 = 0.4013239254547614D-4*t427
t429 = t108*t129
t432 = t429*t110*t111*t141
t433 = 0.1714411141634836D-1*t432
t435 = t109*t359*t111
t436 = 0.8572055708174181D-2*t435
t437 = -t312-t322+t327+t346+t355+t358-t362-t365+t379+t386-t391
#+t398+t403+t408+t411-t418-t424+t428+t433-t436
t440 = t162**2
t443 = t162*t165
t445 = t64*t72
t447 = t445*t168*t171
t455 = t165**2
t471 = dexp(-t170-t60)
t476 = t71*t168
t481 = t77**2
t483 = t72/t481
t488 = t166*t445
t505 = -0.1088426657654099D-2*t311-0.1028646684980902D0*t321
#+0.9631774210914273D-3*t326+0.5143233424904509D-1*t345
#+0.112734376881499D-5*t354+0.1525030916728093D-2*t357
#-0.4815887105457136D-3*t361-0.2057293369961804D0*t364
#+0.8637605650141684D-5*t378+0.5095763183186173D-5*t385
#-0.8248345450739115D-5*t390
t516 = 1/t83/t82
t517 = t181**2
t518 = t516*t517
t540 = -0.146401850156108D-2*t311-0.1383609789223028D0*t321
#+0.1295548537742511D-2*t326+0.6918048946115138D-1*t345
#+0.1516365042658901D-5*t354+0.2051285184758976D-2*t357
#-0.6477742688712557D-3*t361-0.2767219578446055D0*t364
#+0.1161825134662837D-4*t378+0.6854197779240001D-5*t385
#-0.1109466610563933D-4*t390+0.4150829367669083D0*t397
#+0.146401850156108D-2*t402+0.2928037003122161D-2*t407
#+0.4612032630743426D-1*t410-0.1537344210247809D-1*t417
#-0.4880061671870268D-4*t423+0.2159247562904186D-3*t427
#+0.9224065261486851D-1*t432-0.4612032630743426D-1*t435
t541 = t175*t540
t543 = 0.3085940054942705D0*t397+0.1088426657654099D-2*t402
#+0.2176853315308198D-2*t407+0.3428822283269673D-1*t410
#-0.1142940761089891D-1*t417-0.3628088858846997D-4*t423
#+0.1605295701819045D-3*t427+0.6857644566539345D-1*t432
#-0.3428822283269673D-1*t435-0.2369304401100098D2*t518
#+0.3278192763011299D1*t541
t547 = t189*t193
t554 = t86/t192/t89
t555 = t201**2
t573 = -0.1632639986481149D-2*t311-0.1542970027471353D0*t321
#+0.1444766131637141D-2*t326+0.7714850137356763D-1*t345
#+0.1691015653222485D-5*t354+0.228754637509214D-2*t357
#-0.7223830658185704D-3*t361-0.3085940054942705D0*t364
#+0.1295640847521253D-4*t378+0.764364477477926D-5*t385
#-0.1237251817610867D-4*t390
t585 = 0.4628910082414058D0*t397+0.1632639986481149D-2*t402
#+0.3265279972962297D-2*t407+0.5143233424904509D-1*t410
#-0.1714411141634836D-1*t417-0.5442133288270495D-4*t423
#+0.2407943552728568D-3*t427+0.1028646684980902D0*t432
#-0.5143233424904509D-1*t435-0.3553956601650148D2*t518
#+0.4917289144516948D1*t541
t590 = 1/t71
t598 = t59**2
t600 = 1/t598/t58/t57
t602 = t600/t63
t613 = t93*t372*t124
t628 = t120*t78
t632 = t54*t381
t636 = t54*t141
t637 = t139*t80
t641 = 0.2D1*t590*t165*t141+0.4681769917478079D-2*t165*t32*t138
#+0.105811516582519D-1*t602*t165*t111*t61+0.2721066644135248D-3
#*t121*t93*t399*t124-0.2D1*t443-0.2062086362684779D-5*t388*t613
#+0.1285808356226127D-1*t92*t77*t437*t228-0.2571616712452254D-1
#*t130*t93*t319*t80+0.7714850137356763D-1*t394*t93*t395*t80
#-0.2721066644135248D-3*t628*t163*t209+0.1273940795796543D-5*t628
#*t632*t383+0.2407943552728568D-3*t324*t636*t637+t327
t646 = t108*t323
t647 = t54*t111
t667 = 0.1285808356226127D-1*t92*t342*t54*t80
#+0.1714411141634836D-1*t646*t647*t213-t322-0.2721066644135248D-3
#*t121*t217*t209-t312-0.5143233424904509D-1*t130*t217*t213
#+0.2159401412535421D-5*t371*t93*t372*t376-0.5143233424904509D-1
#*t324*t163*t213+t379-0.1D1*t154*t165*t168-t365+t358-t362+t346
t678 = t108*t78
t679 = t32*t80
t683 = t120*t323
t691 = t355+t408+t398-0.8572055708174181D-2*t109*t217*t205
#-0.2857351902724727D-2*t415*t93*t372*t80+t403-t391
#-0.9070222147117492D-5*t422*t613+0.4013239254547614D-4*t678*t632
#*t679+t386+0.5442133288270495D-3*t683*t647*t405
#+0.1285808356226127D-1*t92*t77*t440*t228+t428
t718 = t66*t155
t721 = t433-t424-t418+t411-t436+0.8572055708174181D-2*t109*t93
#*t399*t80-0.8572055708174181D-2*t678*t163*t205
#+0.2818359422037475D-6*t221*t54*t347*t351*t80
#+0.2571616712452254D-1*t92*t154*t162*t228-0.1203971776364284D-3
#*t221*t163*t637-0.1D1*t455+0.3333333333333333D0*t5*t165
#+0.3812577291820233D-3*t221*t222*t316*t80-0.1203971776364284D-3
#*t718*t224
t725 = 1.D0*t437*t54+1.D0*t440*t54-0.155544175017655D3*t443*t74
#*t447+0.7777208750882749D2*t437*t74*t64*t172
#-0.7777208750882749D2*t455*t74*t64*t172-0.2592402916960916D2
#*t165*t151*t64*t169*t111*t171-0.8229182527097421D0*t165/t57/t5
#*t63*t169*t111*t471-0.155544175017655D3*t167*t476*t141*t171
#+0.7777208750882749D2*t167*t483*t154*t171-0.3641110197183013D0
#*t488*t168*t32*t138*t171+(t505+t543)*t90*t97-2.D0*t547*t202+2.D0
#*t190*t232+2.D0*t554*t97*t555-2.D0*t194*t232*t201-1.D0*t194*t97*
#(t573+t585)+t91*(t641+t667+t691+t721)
v2rhob2(i) = v2rhob2(i)+0.1554534543482745D-1*rhoa*t725
v2rhoasigmabb(i) = v2rhoasigmabb(i)+0.1554534543482745D-1*t253
#-0.1208993965512352D1*t258+0.1554534543482745D-1*t271
#-0.1554534543482745D-1*t278+0.1554534543482745D-1*t298
t737 = t429*t110*t111*t241
t738 = 0.8572055708174181D-2*t737
t739 = t133*t65
t741 = t739*t73*t80
t742 = 0.4073997761173315D-3*t741
t745 = t109*t110*t316*sigmabb
t746 = 0.7524823602276776D-5*t745
t747 = t241*t124
t749 = t404*t122*t747
t750 = 0.2721066644135248D-3*t749
t751 = t600*t119
t754 = t751*t73*t148*t124
t755 = 0.1293227644990607D-4*t754
t757 = sigmabb*t124
t759 = t121*t77*t316*t757
t760 = 0.2388638992118519D-6*t759
t763 = t394*t110*t141*t241
t764 = 0.7714850137356763D-1*t763
t765 = t65*t129
t767 = t765*t246*t141
t768 = 0.2444398656703989D-2*t767
t770 = t324*t213*t239
t771 = 0.4514894161366065D-4*t770
t773 = sigmabb*t138
t775 = -0.1849622637793975D0*t133-0.4681769917478079D-2*t773
t777 = t130*t110*t775
t778 = 0.2571616712452254D-1*t777
t780 = t130*t359*t241
t781 = 0.2571616712452254D-1*t780
t786 = -0.2534746483141907D0*t133*t74+0.3168433103927383D-1*t148
#*t151
t789 = t66*t73*t786*t80
t790 = 0.1285808356226127D-1*t789
t792 = t92*t359*t239
t793 = 0.2257447080683033D-4*t792
t794 = t138*t241
t796 = t324*t679*t794
t797 = 0.1203971776364284D-3*t796
t799 = 1/t348/rhob
t802 = t245*t799*t80*t32
t803 = 0.5722056048640281D-5*t802
t804 = t32*sigmabb
t807 = 1/t25/t348/t131
t810 = t92*t110*t804*t807
t811 = 0.1056884783264053D-6*t810
t813 = t92*t110*t773
t814 = 0.1203971776364284D-3*t813
t815 = t738-t742-t746+t750-t755-t760+t764-t768-t771-t778-t781
#+t790+t793+t797-t803-t811-t814
t818 = t162*t252
t821 = t162*t255
t825 = t252*t165
t834 = t165*t255
t839 = t476*t241*t171
t845 = t483*t27*t171
t850 = t168*sigmabb*t37*t171
t854 = t516*t181*t263
t873 = 0.4612032630743426D-1*t737-0.2191937529546115D-2*t741
#-0.4048589180445348D-4*t745+0.146401850156108D-2*t749
#-0.6957967027662436D-4*t754-0.12851620836075D-5*t759
#+0.4150829367669083D0*t763-0.1315162517727669D-1*t767
#-0.2429153508267209D-3*t770-0.1383609789223028D0*t777
#-0.1383609789223028D0*t780+0.6918048946115138D-1*t789
#+0.1214576754133604D-3*t792+0.6477742688712557D-3*t796
#-0.3078644156046066D-4*t802-0.5686368909970879D-6*t810
#-0.6477742688712557D-3*t813
t874 = t175*t873
t893 = -0.2369304401100098D2*t854+0.3278192763011299D1*t874
#+0.3428822283269673D-1*t737-0.1629599104469326D-2*t741
#-0.300992944091071D-4*t745+0.1088426657654099D-2*t749
#-0.5172910579962427D-4*t754-0.9554555968474075D-6*t759
#+0.3085940054942705D0*t763-0.9777594626815955D-2*t767
#-0.1805957664546426D-3*t770-0.1028646684980902D0*t777
#-0.1028646684980902D0*t780+0.5143233424904509D-1*t789
#+0.9029788322732131D-4*t792+0.4815887105457136D-3*t796
#-0.2288822419456112D-4*t802-0.4227539133056213D-6*t810
#-0.4815887105457136D-3*t813
t899 = t269*t193
t927 = -0.3553956601650148D2*t854+0.4917289144516948D1*t874
#+0.5143233424904509D-1*t737-0.2444398656703989D-2*t741
#-0.4514894161366065D-4*t745+0.1632639986481149D-2*t749
#-0.775936586994364D-4*t754-0.1433183395271111D-5*t759
#+0.4628910082414058D0*t763-0.1466639194022393D-1*t767
#-0.2708936496819639D-3*t770-0.1542970027471353D0*t777
#-0.1542970027471353D0*t780+0.7714850137356763D-1*t789
#+0.135446824840982D-3*t792+0.7223830658185704D-3*t796
#-0.3433233629184168D-4*t802-0.634130869958432D-6*t810
#-0.7223830658185704D-3*t813
t941 = t590*t255
t951 = t54*t316
t974 = t245*t27
t978 = 0.4681769917478079D-2*t255*t32*t138-0.1D1*t154*t255*t168
#+0.2D1*t941*t141+0.3333333333333333D0*t5*t255
#-0.1293227644990607D-4*t751*t73*t148*t54*t124
#-0.7524823602276776D-5*t678*t951*sigmabb*t80-t742
#+0.8572055708174181D-2*t646*t647*t280-0.4073997761173315D-3*t739
#*t73*t54*t80-0.1360533322067624D-3*t628*t253*t209
#-0.2388638992118519D-6*t628*t951*t757+0.7714850137356763D-1*t66
#*t393*t77*t636*t280+0.1222199328351994D-2*t974*t163*t80
t990 = -0.1D1*t834-0.1D1*t821-0.1D1*t825+t738
#-0.5722056048640281D-5*t245*t799*t222*t80+t790+t793-t746
#+0.105811516582519D-1*t602*t255*t111*t61-t768+t764-t760-t755
t1009 = -0.1203971776364284D-3*t221*t288*t223+t750+t797-t811
#-t814-t781-t771-t778-t803+0.2257447080683033D-4*t718*t290
#-0.2571616712452254D-1*t130*t217*t280+0.1285808356226127D-1*t92
#*t786*t54*t80-0.1056884783264053D-6*t221*t54*t804*t807*t80
t1017 = t765*t27
t1027 = t239*t80
t1055 = 0.1285808356226127D-1*t92*t77*t815*t228
#-0.2571616712452254D-1*t324*t253*t213-0.2444398656703989D-2
#*t1017*t636*t80-0.601985888182142D-4*t221*t253*t637
#-0.2571616712452254D-1*t324*t163*t280-0.4514894161366065D-4*t324
#*t636*t1027+0.1203971776364284D-3*t324*t222*t794*t80
#+0.1285808356226127D-1*t92*t154*t252*t228+0.2257447080683033D-4
#*t221*t163*t1027+0.2721066644135248D-3*t683*t647*t747
#+0.1285808356226127D-1*t221*t818*t228-0.2571616712452254D-1*t130
#*t93*t775*t80-0.4286027854087091D-2*t678*t253*t205
t1059 = 1.D0*t815*t54+1.D0*t818*t54-0.7777208750882749D2*t821
#*t74*t447-0.7777208750882749D2*t825*t74*t447
#+0.7777208750882749D2*t815*t74*t64*t172-0.7777208750882749D2
#*t834*t74*t447-0.155544175017655D3*t167*t839
#+0.7392469698735191D1*t165*t107*t64*t845+0.136541632394363D0
#*t488*t850+t893*t90*t97-1.D0*t547*t277+t190*t297-1.D0*t899*t202
#+2.D0*t554*t202*t276-1.D0*t194*t297*t201-1.D0*t194*t97*t927+t270
#*t232-1.D0*t194*t232*t276+t91*(t978+t990+t1009+t1055)
v2rhobsigmabb(i) = v2rhobsigmabb(i)+0.1554534543482745D-1*rhoa
#*t1059
t1063 = t241**2
t1065 = t394*t110*t1063
t1066 = 0.7714850137356763D-1*t1065
t1068 = t765*t246*t241
t1069 = 0.4888797313407978D-2*t1068
t1071 = t324*t280*t239
t1072 = 0.9029788322732131D-4*t1071
t1073 = t110*t37
t1074 = t130*t1073
t1075 = 0.2257447080683033D-4*t1074
t1076 = 1/t348
t1079 = t245*t1076*t80*sigmabb
t1080 = 0.4291542036480211D-5*t1079
t1083 = 1/t25/t348/t23
t1086 = t92*t110*t32*t1083
t1087 = 0.39633179372402D-7*t1086
t1088 = t92*t1073
t1089 = 0.2257447080683033D-4*t1088
t1090 = t1066-t1069-t1072-t1075+t1080+t1087+t1089
t1093 = t252**2
t1096 = t252*t255
t1105 = t255**2
t1119 = t263**2
t1120 = t516*t1119
t1130 = t175*(0.4150829367669083D0*t1065-0.2630325035455338D-1
#*t1068-0.4858307016534418D-3*t1071-0.1214576754133604D-3*t1074
#+0.2308983117034549D-4*t1079+0.2132388341239079D-6*t1086
#+0.1214576754133604D-3*t1088)
t1146 = t276**2
t1170 = t93*t289
t1173 = t54*t241
t1207 = 0.7714850137356763D-1*t394*t93*t1063*t80
#-0.2257447080683033D-4*t130*t1170-0.9029788322732131D-4*t324
#*t1173*t1027-0.5143233424904509D-1*t324*t253*t280
#-0.4888797313407978D-2*t1017*t1173*t80+0.2D1*t941*t241
#-0.9505299311782149D-1*t27*t255*t74*t168+0.4291542036480211D-5
#*t245*t1076*t288*t80+0.2444398656703989D-2*t974*t253*t80
#+0.1285808356226127D-1*t92*t77*t1090*t228+0.39633179372402D-7
#*t221*t222*t1083*t80-0.175566371905428D-2*t255*sigmabb*t37
t1219 = 0.4514894161366065D-4*t221*t253*t1027
#+0.2257447080683033D-4*t92*t1170+t1066-t1069-t1072-t1075+t1080
#+t1087+t1089+0.1285808356226127D-1*t92*t77*t1093*t228-0.2D1
#*t1096-0.1D1*t1105
s1 = 1.D0*t1090*t54+1.D0*t1093*t54-0.155544175017655D3*t1096*t74
#*t447+0.7777208750882749D2*t1090*t74*t64*t172
#-0.7777208750882749D2*t1105*t74*t64*t172-0.155544175017655D3
#*t257*t839+0.7392469698735191D1*t255*t107*t64*t845
t1222 = s1+0.136541632394363D0*t256*t445*t850+(
#-0.2369304401100098D2*t1120+0.3278192763011299D1*t1130
#+0.3085940054942705D0*t1065-0.1955518925363191D-1*t1068
#-0.3611915329092852D-3*t1071-0.9029788322732131D-4*t1074
#+0.1716616814592084D-4*t1079+0.158532717489608D-6*t1086
#+0.9029788322732131D-4*t1088)*t90*t97-2.D0*t899*t277+2.D0*t270
#*t297+2.D0*t554*t97*t1146-2.D0*t194*t297*t276-1.D0*t194*t97*(
#-0.3553956601650148D2*t1120+0.4917289144516948D1*t1130
#+0.4628910082414058D0*t1065-0.2933278388044787D-1*t1068
#-0.5417872993639278D-3*t1071-0.135446824840982D-3*t1074
#+0.2574925221888126D-4*t1079+0.237799076234412D-6*t1086
#+0.135446824840982D-3*t1088)+t91*(t1207+t1219)
v2sigmabb2(i) = v2sigmabb2(i)+0.1554534543482745D-1*rhoa*t1222
endif
t1 = 1/rhoa
t2 = t1**(1.D0/3.D0)
trsa = 0.1285808356226127D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.5683671053580832D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rhoa**2
t12 = rhoa**(1.D0/3.D0)
t13 = t12**2
t16 = sigmaaa/t13/t11
t18 = sigmaaa**2
t19 = t11**2
t23 = t18/t12/t19/rhoa
t26 = (0.1D1+0.6936084891727404D-1*t16+0.4389159297635699D-3*t23
#)**2
t34 = dexp(-0.4389159297635699D-3*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.9505299311782149D-1*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t5 = 1/rhoa
t6 = 1/0.3141592653589793D1*t5
t7 = t6**(1.D0/3.D0)
t9 = t6**(1.D0/15.D0)
t10 = t9**2
t11 = t10**2
t13 = dexp(-0.7712625328179681D-1*t11)
t16 = (0.942486901D0+0.349064173D0*t13)**2
t19 = 0.3141592653589793D1**(1.D0/3.D0)
t20 = t19**2
t22 = 1/t20*sigmaaa
t23 = rhoa**2
t24 = rhoa**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25/t23
t32 = sigmaaa**2
t34 = t23**2
t35 = t34*rhoa
t37 = 1/t24/t35
t38 = 1/t19/0.3141592653589793D1*t32*t37
t41 = (0.1D1+0.1487810599361293D0*t22*t27+0.2019518519390501D-2
#*t38)**2
t50 = dexp(0.4039037038781002D-2*t38)
t54 = expei(-0.1858628590577086D0/t2*t7/t16/t41*(0.1D1
#+0.1392138426088027D0*t22*t27/t7)*t50)
t56 = t5**(1.D0/3.D0)
t57 = t5**(1.D0/15.D0)
t58 = t57**2
t59 = t58**2
t60 = 0.5683671053580832D-1*t59
t61 = dexp(-t60)
t63 = 0.942486901D0+0.349064173D0*t61
t64 = t63**2
t65 = 1/t64
t66 = t56*t65
t67 = sigmaaa*t27
t69 = t32*t37
t71 = 0.1D1+0.6936084891727404D-1*t67+0.4389159297635699D-3*t69
t72 = t71**2
t73 = 1/t72
t74 = 1/t56
t77 = 0.1D1+0.9505299311782149D-1*t67*t74
t78 = t73*t77
t79 = 0.8778318595271399D-3*t69
t80 = dexp(t79)
t82 = t66*t78*t80
t83 = dsqrt(t82)
t86 = 0.6D1+0.4535739597862518D0*t83+0.5143233424904509D-1*t82
t89 = 0.3D1+0.6803609396793777D0*t83+0.7714850137356763D-1*t82
t90 = 1/t89
t91 = t86*t90
t92 = t66*t73
t93 = t77*t54
t97 = 0.1285808356226127D-1*t92*t93*t80+0.1D1
t98 = t91*t97
zk(i) = zk(i)+0.1554534543482745D-1*rhob*(1.D0*t54+t98)
t103 = t56**2
t104 = 1/t103
t105 = t104*t65
t106 = t105*t73
t107 = t77*t80
t108 = 1/t23
t110 = t106*t107*t108
t111 = 0.4286027854087091D-2*t110
t112 = t5**(1.D0/5.D0)
t113 = t112**2
t116 = 1/t64/t63
t117 = 1/t113*t116
t118 = t117*t73
t119 = t77*t108
t121 = dexp(t79-t60)
t123 = t118*t119*t121
t124 = 0.1360533322067624D-3*t123
t126 = 1/t72/t71
t127 = t66*t126
t128 = t23*rhoa
t130 = 1/t25/t128
t131 = sigmaaa*t130
t133 = t34*t23
t135 = 1/t24/t133
t136 = t32*t135
t138 = -0.1849622637793975D0*t131-0.234088495873904D-2*t136
t140 = t127*t107*t138
t141 = 0.2571616712452254D-1*t140
t145 = 1/t25/t34
t146 = sigmaaa*t145
t148 = 1/t56/t5
t151 = -0.2534746483141907D0*t131*t74+0.3168433103927383D-1*t146
#*t148
t152 = t73*t151
t154 = t66*t152*t80
t155 = 0.1285808356226127D-1*t154
t157 = t92*t107*t136
t158 = 0.601985888182142D-4*t157
t159 = -t111-t124-t141+t155-t158
t160 = t159*t54
t162 = -t159
t163 = t162*t74
t164 = t163*t64
t165 = 1/t77
t166 = t72*t165
t167 = 0.8778318595271399D-3*t69
t168 = dexp(-t167)
t169 = t166*t168
t170 = t164*t169
t172 = 1/t83
t178 = -0.2306016315371713D-1*t110-0.7320092507805402D-3*t123
#-0.1383609789223028D0*t140+0.6918048946115138D-1*t154
#-0.3238871344356278D-3*t157
t179 = t172*t178
t186 = 0.3278192763011299D1*t179-0.1714411141634836D-1*t110
#-0.5442133288270495D-3*t123-0.1028646684980902D0*t140
#+0.5143233424904509D-1*t154-0.2407943552728568D-3*t157
t187 = t186*t90
t188 = t187*t97
t189 = t89**2
t190 = 1/t189
t191 = t86*t190
t198 = 0.4917289144516948D1*t179-0.2571616712452254D-1*t110
#-0.8163199932405743D-3*t123-0.1542970027471353D0*t140
#+0.7714850137356763D-1*t154-0.3611915329092852D-3*t157
t199 = t97*t198
t200 = t191*t199
t202 = t108*t80
t206 = t108*t121
t210 = t138*t80
t214 = t151*t54
t218 = t66*t78
t219 = t54*t32
t220 = t135*t80
t221 = t219*t220
t225 = t54*t80
t229 = -0.4286027854087091D-2*t106*t93*t202
#-0.1360533322067624D-3*t118*t93*t206-0.2571616712452254D-1*t127
#*t93*t210+0.1285808356226127D-1*t92*t214*t80
#-0.601985888182142D-4*t218*t221+0.1285808356226127D-1*t92*t77
#*t159*t225-t111-t124-t141+t155-t158
t230 = t91*t229
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*rhob*(1.D0*t160
#-0.7777208750882749D2*t170+t188-1.D0*t200+t230)
vrhob(i) = vrhob(i)+0.1554534543482745D-1*t54
#+0.1554534543482745D-1*t98
t239 = sigmaaa*t37
t241 = 0.6936084891727404D-1*t27+0.8778318595271399D-3*t239
t243 = t127*t107*t241
t244 = 0.2571616712452254D-1*t243
t245 = t65*t73
t246 = t27*t80
t247 = t245*t246
t248 = 0.1222199328351994D-2*t247
t250 = t92*t107*t239
t251 = 0.2257447080683033D-4*t250
t252 = -t244+t248+t251
t253 = t252*t54
t255 = -t252
t256 = t255*t74
t257 = t256*t64
t258 = t257*t169
t263 = -0.1383609789223028D0*t243+0.6575812588638345D-2*t247
#+0.1214576754133604D-3*t250
t264 = t172*t263
t269 = 0.3278192763011299D1*t264-0.1028646684980902D0*t243
#+0.4888797313407978D-2*t247+0.9029788322732131D-4*t250
t270 = t269*t90
t271 = t270*t97
t276 = 0.4917289144516948D1*t264-0.1542970027471353D0*t243
#+0.7333195970111966D-2*t247+0.135446824840982D-3*t250
t277 = t97*t276
t278 = t191*t277
t280 = t241*t80
t288 = t54*sigmaaa
t289 = t37*t80
t290 = t288*t289
t297 = -0.2571616712452254D-1*t127*t93*t280
#+0.1222199328351994D-2*t245*t27*t54*t80+0.2257447080683033D-4
#*t218*t290+0.1285808356226127D-1*t92*t77*t252*t225-t244+t248+t251
t298 = t91*t297
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*rhob*(1.D0*t253
#-0.7777208750882749D2*t258+t271-1.D0*t278+t298)
t305 = 1/t24/t34/t128
t306 = t32*t305
t308 = t92*t107*t306
t309 = 0.3812577291820233D-3*t308
t310 = t32**2
t311 = t34**2
t314 = 1/t25/t311/t34
t317 = t92*t107*t310*t314
t318 = 0.2818359422037475D-6*t317
t319 = t151*t80
t321 = t92*t319*t136
t322 = 0.1203971776364284D-3*t321
t325 = 0.678194967191124D0*t146+0.1482560473868058D-1*t306
t327 = t127*t107*t325
t328 = 0.2571616712452254D-1*t327
t329 = t126*t77
t330 = t66*t329
t332 = t330*t210*t136
t333 = 0.2407943552728568D-3*t332
t348 = 0.9294070438186991D0*t146*t74-0.2323517609546748D0
#*sigmaaa/t25/t35*t148+0.4224577471903178D-1*sigmaaa/t25/t133/t56
#/t108
t351 = t66*t73*t348*t80
t352 = 0.1285808356226127D-1*t351
t353 = 1/t128
t356 = t118*t77*t353*t121
t357 = 0.2721066644135248D-3*t356
t359 = 1/t58/t5
t360 = t64**2
t363 = t359/t360*t73
t364 = 1/t34
t365 = t77*t364
t368 = dexp(t79-0.1136734210716166D0*t59)
t370 = t363*t365*t368
t371 = 0.2159401412535421D-5*t370
t373 = 1/t24/t311
t375 = t32*t121
t377 = t118*t77*t373*t375
t378 = 0.1273940795796543D-5*t377
t380 = t359*t116*t73
t381 = t365*t121
t382 = t380*t381
t383 = 0.2062086362684779D-5*t382
t384 = t72**2
t385 = 1/t384
t386 = t66*t385
t387 = t138**2
t389 = t386*t107*t387
t390 = 0.7714850137356763D-1*t389
t392 = t127*t319*t138
t393 = 0.5143233424904509D-1*t392
t396 = t118*t151*t108*t121
t397 = 0.2721066644135248D-3*t396
t399 = t106*t107*t353
t400 = 0.8572055708174181D-2*t399
t404 = 1/t103/t5*t65*t73
t406 = t404*t107*t364
t407 = 0.2857351902724727D-2*t406
t411 = 1/t113/t5*t116*t73
t412 = t411*t381
t413 = 0.9070222147117492D-5*t412
t416 = t106*t107*t373*t32
t417 = 0.4013239254547614D-4*t416
t418 = t117*t126
t419 = t138*t121
t421 = t418*t119*t419
t422 = 0.5442133288270495D-3*t421
t423 = t105*t126
t426 = t423*t107*t108*t138
t427 = 0.1714411141634836D-1*t426
t429 = t106*t319*t108
t430 = 0.8572055708174181D-2*t429
t431 = t309+t318-t322-t328+t333+t352+t357+t371+t378-t383+t390
#-t393-t397+t400-t407-t413+t417+t422+t427-t430
t434 = t159**2
t437 = t159*t162
t439 = t64*t72
t441 = t439*t165*t168
t449 = t162**2
t465 = dexp(-t167-t60)
t470 = t71*t165
t475 = t77**2
t477 = t72/t475
t482 = t163*t439
t499 = 0.1525030916728093D-2*t308+0.112734376881499D-5*t317
#-0.4815887105457136D-3*t321-0.1028646684980902D0*t327
#+0.9631774210914273D-3*t332+0.5143233424904509D-1*t351
#+0.1088426657654099D-2*t356+0.8637605650141684D-5*t370
#+0.5095763183186173D-5*t377-0.8248345450739115D-5*t382
#+0.3085940054942705D0*t389
t529 = 0.2051285184758976D-2*t308+0.1516365042658901D-5*t317
#-0.6477742688712557D-3*t321-0.1383609789223028D0*t327
#+0.1295548537742511D-2*t332+0.6918048946115138D-1*t351
#+0.146401850156108D-2*t356+0.1161825134662837D-4*t370
#+0.6854197779240001D-5*t377-0.1109466610563933D-4*t382
#+0.4150829367669083D0*t389-0.2767219578446055D0*t392
#-0.146401850156108D-2*t396+0.4612032630743426D-1*t399
#-0.1537344210247809D-1*t406-0.4880061671870268D-4*t412
#+0.2159247562904186D-3*t416+0.2928037003122161D-2*t421
#+0.9224065261486851D-1*t426-0.4612032630743426D-1*t429
t530 = t172*t529
t533 = 1/t83/t82
t534 = t178**2
t535 = t533*t534
t537 = -0.2057293369961804D0*t392-0.1088426657654099D-2*t396
#+0.3428822283269673D-1*t399-0.1142940761089891D-1*t406
#-0.3628088858846997D-4*t412+0.1605295701819045D-3*t416
#+0.2176853315308198D-2*t421+0.6857644566539345D-1*t426
#-0.3428822283269673D-1*t429+0.3278192763011299D1*t530
#-0.2369304401100098D2*t535
t541 = t186*t190
t548 = t86/t189/t89
t549 = t198**2
t567 = 0.228754637509214D-2*t308+0.1691015653222485D-5*t317
#-0.7223830658185704D-3*t321-0.1542970027471353D0*t327
#+0.1444766131637141D-2*t332+0.7714850137356763D-1*t351
#+0.1632639986481149D-2*t356+0.1295640847521253D-4*t370
#+0.764364477477926D-5*t377-0.1237251817610867D-4*t382
#+0.4628910082414058D0*t389
t579 = -0.3085940054942705D0*t392-0.1632639986481149D-2*t396
#+0.5143233424904509D-1*t399-0.1714411141634836D-1*t406
#-0.5442133288270495D-4*t412+0.2407943552728568D-3*t416
#+0.3265279972962297D-2*t421+0.1028646684980902D0*t426
#-0.5143233424904509D-1*t429+0.4917289144516948D1*t530
#-0.3553956601650148D2*t535
t584 = t309+t318-t328+t371+t357-t383+t333+t352-t322+t400-t397
#-t393+t390
t586 = t117*t78
t606 = t54*t373
t610 = t378-t430+t427+t422+t417-t413-t407-0.1D1*t449
#-0.2721066644135248D-3*t586*t160*t206+0.3812577291820233D-3*t218
#*t219*t305*t80+0.2818359422037475D-6*t218*t54*t310*t314*t80
#-0.8572055708174181D-2*t106*t214*t202+0.2721066644135248D-3*t118
#*t93*t353*t121+0.1273940795796543D-5*t586*t606*t375
t612 = t105*t329
t613 = t54*t108
t634 = 1/t71
t638 = t66*t152
t650 = t59**2
t652 = 1/t650/t58/t57
t654 = t652/t63
t659 = t136*t80
t663 = 0.1714411141634836D-1*t612*t613*t210
#+0.1285808356226127D-1*t92*t77*t431*t225+0.4681769917478079D-2
#*t162*t32*t135-0.1D1*t151*t162*t165+0.1285808356226127D-1*t92
#*t77*t434*t225+0.3333333333333333D0*t5*t162-0.2D1*t437+0.2D1
#*t634*t162*t138-0.1203971776364284D-3*t638*t221
#+0.2159401412535421D-5*t363*t93*t364*t368-0.2857351902724727D-2
#*t404*t93*t364*t80+0.105811516582519D-1*t654*t162*t108*t61
#-0.1203971776364284D-3*t218*t160*t659
t667 = t117*t329
t671 = t105*t78
t675 = t54*t138
t680 = t93*t364*t121
t683 = t32*t80
t715 = -0.2721066644135248D-3*t118*t214*t206
#+0.5442133288270495D-3*t667*t613*t419-0.8572055708174181D-2*t671
#*t160*t202+0.2407943552728568D-3*t330*t675*t659
#-0.9070222147117492D-5*t411*t680+0.4013239254547614D-4*t671*t606
#*t683-0.2571616712452254D-1*t127*t93*t325*t80
#+0.7714850137356763D-1*t386*t93*t387*t80-0.5143233424904509D-1
#*t330*t160*t210+0.1285808356226127D-1*t92*t348*t54*t80
#+0.2571616712452254D-1*t92*t151*t159*t225-0.5143233424904509D-1
#*t127*t214*t210-0.2062086362684779D-5*t380*t680
#+0.8572055708174181D-2*t106*t93*t353*t80
t719 = 1.D0*t431*t54+1.D0*t434*t54-0.155544175017655D3*t437*t74
#*t441+0.7777208750882749D2*t431*t74*t64*t169
#-0.7777208750882749D2*t449*t74*t64*t169-0.2592402916960916D2
#*t162*t148*t64*t166*t108*t168-0.8229182527097421D0*t162/t57/t5
#*t63*t166*t108*t465-0.155544175017655D3*t164*t470*t138*t168
#+0.7777208750882749D2*t164*t477*t151*t168-0.3641110197183013D0
#*t482*t165*t32*t135*t168+(t499+t537)*t90*t97-2.D0*t541*t199+2.D0
#*t187*t229+2.D0*t548*t97*t549-2.D0*t191*t229*t198-1.D0*t191*t97*
#(t567+t579)+t91*(t584+t610+t663+t715)
v2rhoa2(i) = v2rhoa2(i)+0.1554534543482745D-1*rhob*t719
v2rhoab(i) = v2rhoab(i)+0.1554534543482745D-1*t160
#-0.1208993965512352D1*t170+0.1554534543482745D-1*t188
#-0.1554534543482745D-1*t200+0.1554534543482745D-1*t230
v2rhob2(i) = v2rhob2(i)
t731 = t423*t107*t108*t241
t732 = 0.8572055708174181D-2*t731
t733 = t130*t65
t735 = t733*t73*t80
t736 = 0.4073997761173315D-3*t735
t739 = t106*t107*t305*sigmaaa
t740 = 0.7524823602276776D-5*t739
t741 = t241*t121
t743 = t418*t119*t741
t744 = 0.2721066644135248D-3*t743
t745 = t652*t116
t748 = t745*t73*t145*t121
t749 = 0.1293227644990607D-4*t748
t751 = sigmaaa*t121
t753 = t118*t77*t305*t751
t754 = 0.2388638992118519D-6*t753
t757 = t386*t107*t138*t241
t758 = 0.7714850137356763D-1*t757
t759 = t65*t126
t761 = t759*t246*t138
t762 = 0.2444398656703989D-2*t761
t764 = t330*t210*t239
t765 = 0.4514894161366065D-4*t764
t767 = sigmaaa*t135
t769 = -0.1849622637793975D0*t130-0.4681769917478079D-2*t767
t771 = t127*t107*t769
t772 = 0.2571616712452254D-1*t771
t774 = t127*t319*t241
t775 = 0.2571616712452254D-1*t774
t780 = -0.2534746483141907D0*t130*t74+0.3168433103927383D-1*t145
#*t148
t783 = t66*t73*t780*t80
t784 = 0.1285808356226127D-1*t783
t786 = t92*t319*t239
t787 = 0.2257447080683033D-4*t786
t788 = t135*t241
t790 = t330*t683*t788
t791 = 0.1203971776364284D-3*t790
t793 = 1/t311/rhoa
t796 = t245*t793*t80*t32
t797 = 0.5722056048640281D-5*t796
t798 = t32*sigmaaa
t801 = 1/t25/t311/t128
t804 = t92*t107*t798*t801
t805 = 0.1056884783264053D-6*t804
t807 = t92*t107*t767
t808 = 0.1203971776364284D-3*t807
t809 = t732-t736-t740+t744-t749-t754+t758-t762-t765-t772-t775
#+t784+t787+t791-t797-t805-t808
t812 = t159*t252
t815 = t159*t255
t819 = t252*t162
t828 = t162*t255
t833 = t470*t241*t168
t839 = t477*t27*t168
t844 = t165*sigmaaa*t37*t168
t848 = t533*t178*t263
t867 = 0.4612032630743426D-1*t731-0.2191937529546115D-2*t735
#-0.4048589180445348D-4*t739+0.146401850156108D-2*t743
#-0.6957967027662436D-4*t748-0.12851620836075D-5*t753
#+0.4150829367669083D0*t757-0.1315162517727669D-1*t761
#-0.2429153508267209D-3*t764-0.1383609789223028D0*t771
#-0.1383609789223028D0*t774+0.6918048946115138D-1*t783
#+0.1214576754133604D-3*t786+0.6477742688712557D-3*t790
#-0.3078644156046066D-4*t796-0.5686368909970879D-6*t804
#-0.6477742688712557D-3*t807
t868 = t172*t867
t887 = -0.2369304401100098D2*t848+0.3278192763011299D1*t868
#+0.3428822283269673D-1*t731-0.1629599104469326D-2*t735
#-0.300992944091071D-4*t739+0.1088426657654099D-2*t743
#-0.5172910579962427D-4*t748-0.9554555968474075D-6*t753
#+0.3085940054942705D0*t757-0.9777594626815955D-2*t761
#-0.1805957664546426D-3*t764-0.1028646684980902D0*t771
#-0.1028646684980902D0*t774+0.5143233424904509D-1*t783
#+0.9029788322732131D-4*t786+0.4815887105457136D-3*t790
#-0.2288822419456112D-4*t796-0.4227539133056213D-6*t804
#-0.4815887105457136D-3*t807
t893 = t269*t190
t921 = -0.3553956601650148D2*t848+0.4917289144516948D1*t868
#+0.5143233424904509D-1*t731-0.2444398656703989D-2*t735
#-0.4514894161366065D-4*t739+0.1632639986481149D-2*t743
#-0.775936586994364D-4*t748-0.1433183395271111D-5*t753
#+0.4628910082414058D0*t757-0.1466639194022393D-1*t761
#-0.2708936496819639D-3*t764-0.1542970027471353D0*t771
#-0.1542970027471353D0*t774+0.7714850137356763D-1*t783
#+0.135446824840982D-3*t786+0.7223830658185704D-3*t790
#-0.3433233629184168D-4*t796-0.634130869958432D-6*t804
#-0.7223830658185704D-3*t807
t941 = t54*t305
t959 = 0.7714850137356763D-1*t66*t385*t77*t675*t280-t736
#-0.1360533322067624D-3*t586*t253*t206+0.1203971776364284D-3*t330
#*t219*t788*t80-0.2388638992118519D-6*t586*t941*t751
#-0.1293227644990607D-4*t745*t73*t145*t54*t121-t749
#-0.2571616712452254D-1*t127*t214*t280-0.2571616712452254D-1*t330
#*t253*t210-t762-t775+t784+0.4681769917478079D-2*t255*t32*t135
t967 = t759*t27
t974 = t239*t80
t978 = 0.8572055708174181D-2*t612*t613*t280-t772
#-0.7524823602276776D-5*t671*t941*sigmaaa*t80-t765
#-0.2444398656703989D-2*t967*t675*t80-0.4286027854087091D-2*t671
#*t253*t202+t758-t754+t744-t740-0.4514894161366065D-4*t330*t675
#*t974+t732-t797
t1011 = -0.1203971776364284D-3*t218*t288*t220
#+0.2721066644135248D-3*t667*t613*t741-t805+0.1285808356226127D-1
#*t92*t151*t252*t225+t791+t787-0.2571616712452254D-1*t330*t160
#*t280-t808+0.2257447080683033D-4*t638*t290-0.4073997761173315D-3
#*t733*t73*t54*t80-0.5722056048640281D-5*t245*t793*t219*t80
#-0.601985888182142D-4*t218*t253*t659-0.1056884783264053D-6*t218
#*t54*t798*t801*t80
t1026 = t245*t27
t1035 = t634*t255
t1049 = 0.1285808356226127D-1*t92*t77*t809*t225
#+0.1285808356226127D-1*t218*t812*t225-0.2571616712452254D-1*t127
#*t93*t769*t80+0.2257447080683033D-4*t218*t160*t974
#+0.1222199328351994D-2*t1026*t160*t80-0.1D1*t828
#+0.1285808356226127D-1*t92*t780*t54*t80+0.2D1*t1035*t138-0.1D1
#*t151*t255*t165+0.3333333333333333D0*t5*t255-0.1D1*t815-0.1D1
#*t819+0.105811516582519D-1*t654*t255*t108*t61
t1053 = 1.D0*t809*t54+1.D0*t812*t54-0.7777208750882749D2*t815
#*t74*t441-0.7777208750882749D2*t819*t74*t441
#+0.7777208750882749D2*t809*t74*t64*t169-0.7777208750882749D2
#*t828*t74*t441-0.155544175017655D3*t164*t833
#+0.7392469698735191D1*t162*t104*t64*t839+0.136541632394363D0
#*t482*t844+t887*t90*t97-1.D0*t541*t277+t187*t297-1.D0*t893*t199
#+2.D0*t548*t199*t276-1.D0*t191*t297*t198-1.D0*t191*t97*t921+t270
#*t229-1.D0*t191*t229*t276+t91*(t959+t978+t1011+t1049)
v2rhoasigmaaa(i) = v2rhoasigmaaa(i)+0.1554534543482745D-1*rhob
#*t1053
v2rhobsigmaaa(i) = v2rhobsigmaaa(i)+0.1554534543482745D-1*t253
#-0.1208993965512352D1*t258+0.1554534543482745D-1*t271
#-0.1554534543482745D-1*t278+0.1554534543482745D-1*t298
t1063 = t241**2
t1065 = t386*t107*t1063
t1066 = 0.7714850137356763D-1*t1065
t1068 = t759*t246*t241
t1069 = 0.4888797313407978D-2*t1068
t1071 = t330*t280*t239
t1072 = 0.9029788322732131D-4*t1071
t1073 = t107*t37
t1074 = t127*t1073
t1075 = 0.2257447080683033D-4*t1074
t1076 = 1/t311
t1079 = t245*t1076*t80*sigmaaa
t1080 = 0.4291542036480211D-5*t1079
t1083 = 1/t25/t311/t23
t1086 = t92*t107*t32*t1083
t1087 = 0.39633179372402D-7*t1086
t1088 = t92*t1073
t1089 = 0.2257447080683033D-4*t1088
t1090 = t1066-t1069-t1072-t1075+t1080+t1087+t1089
t1093 = t252**2
t1096 = t252*t255
t1105 = t255**2
t1119 = t263**2
t1120 = t533*t1119
t1130 = t172*(0.4150829367669083D0*t1065-0.2630325035455338D-1
#*t1068-0.4858307016534418D-3*t1071-0.1214576754133604D-3*t1074
#+0.2308983117034549D-4*t1079+0.2132388341239079D-6*t1086
#+0.1214576754133604D-3*t1088)
t1146 = t276**2
t1176 = t93*t289
t1196 = t54*t241
t1203 = -0.175566371905428D-2*t255*sigmaaa*t37
#+0.4514894161366065D-4*t218*t253*t974+0.1285808356226127D-1*t92
#*t77*t1090*t225+0.2257447080683033D-4*t92*t1176
#+0.39633179372402D-7*t218*t219*t1083*t80-0.2D1*t1096-0.1D1*t1105
#+0.4291542036480211D-5*t245*t1076*t288*t80+0.2444398656703989D-2
#*t1026*t253*t80-0.9505299311782149D-1*t27*t255*t74*t165
#-0.9029788322732131D-4*t330*t1196*t974-0.5143233424904509D-1
#*t330*t253*t280
t1219 = -0.2257447080683033D-4*t127*t1176-0.4888797313407978D-2
#*t967*t1196*t80+0.2D1*t1035*t241+0.7714850137356763D-1*t386*t93
#*t1063*t80+t1066-t1069-t1072-t1075+t1080+t1087+t1089
#+0.1285808356226127D-1*t92*t77*t1093*t225
s1 = 1.D0*t1090*t54+1.D0*t1093*t54-0.155544175017655D3*t1096*t74
#*t441+0.7777208750882749D2*t1090*t74*t64*t169
#-0.7777208750882749D2*t1105*t74*t64*t169-0.155544175017655D3
#*t257*t833+0.7392469698735191D1*t255*t104*t64*t839
t1222 = s1+0.136541632394363D0*t256*t439*t844+(
#-0.2369304401100098D2*t1120+0.3278192763011299D1*t1130
#+0.3085940054942705D0*t1065-0.1955518925363191D-1*t1068
#-0.3611915329092852D-3*t1071-0.9029788322732131D-4*t1074
#+0.1716616814592084D-4*t1079+0.158532717489608D-6*t1086
#+0.9029788322732131D-4*t1088)*t90*t97-2.D0*t893*t277+2.D0*t270
#*t297+2.D0*t548*t97*t1146-2.D0*t191*t297*t276-1.D0*t191*t97*(
#-0.3553956601650148D2*t1120+0.4917289144516948D1*t1130
#+0.4628910082414058D0*t1065-0.2933278388044787D-1*t1068
#-0.5417872993639278D-3*t1071-0.135446824840982D-3*t1074
#+0.2574925221888126D-4*t1079+0.237799076234412D-6*t1086
#+0.135446824840982D-3*t1088)+t91*(t1203+t1219)
v2sigmaaa2(i) = v2sigmaaa2(i)+0.1554534543482745D-1*rhob*t1222
endif
endif ! rhoa,rhob
endif ! rho
enddo
endif ! ideriv
return
end
subroutine rks_c_ft97
& (ideriv,npt,rhoa1,sigmaaa1,
& zk,vrhoa,vsigmaaa,
& v2rhoa2,v2rhoasigmaaa,v2sigmaaa2)
c
c M. Filatov, and W. Thiel
c A nonlocal correlation energy density functional from a
c Coulomb hole model
c Int. J. Quant. Chem. 62 (1997) 603-616
c
c M. Filatov, and W. Thiel
c A new gradient-corrected exchange-correlation density functional
c Mol. Phys. 91 (1997) 847-859
c
c
c CITATION:
c
c Functionals were obtained from the Density Functional Repository
c as developed and distributed by the Quantum Chemistry Group,
c CCLRC Daresbury Laboratory, Daresbury, Cheshire, WA4 4AD
c United Kingdom. Contact Huub van Dam (h.j.j.vandam@dl.ac.uk) or
c Paul Sherwood for further information.
c
c COPYRIGHT:
c
c Users may incorporate the source code into software packages and
c redistribute the source code provided the source code is not
c changed in anyway and is properly cited in any documentation or
c publication related to its use.
c
c ACKNOWLEDGEMENT:
c
c The source code was generated using Maple 8 through a modified
c version of the dfauto script published in:
c
c R. Strange, F.R. Manby, P.J. Knowles
c Automatic code generation in density functional theory
c Comp. Phys. Comm. 136 (2001) 310-318.
c
implicit real*8 (a-h,o-z)
integer ideriv,npt
real*8 rhoa1(npt)
real*8 sigmaaa1(npt)
real*8 zk(npt),vrhoa(npt),vsigmaaa(npt)
real*8 v2rhoa2(npt),v2rhoasigmaaa(npt),v2sigmaaa2(npt)
parameter(tolmin=1.0d-20)
parameter(tolmax=1.0d+5)
if(ideriv.eq.0) then
do i=1,npt
rho = dmax1(0.D0,rhoa1(i))
zk(i) = 0.D0
if(rho.gt.tolmin) then
sigma = dmax1(0.D0,sigmaaa1(i))
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5940962989070748D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.9630597286858919D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigma**2
t15 = rho**2
t16 = t15**2
t18 = rho**(1.D0/3.D0)
t21 = t14/t18/t16/rho
t24 = (0.1D1+0.1127183082292567D0*t21)**2
t26 = t18**2
t36 = dexp(-0.1127183082292567D0*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.312690210142125D0*sigma/t26/t15/t2)*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rho
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t9 = (0.8301627136974294D0*t5+0.1354632918982911D1*t3)**2
t13 = dexp(-0.6108870577108572D0*t4/t9)
t15 = 0.3141592653589793D1**2
t17 = 2**(1.D0/3.D0)
t20 = 1/0.3141592653589793D1*t2
t21 = t20**(1.D0/3.D0)
t23 = 2**(1.D0/15.D0)
t24 = t23**2
t25 = t20**(1.D0/15.D0)
t26 = t25**2
t29 = dexp(-0.630966299458536D0*t24*t26)
t31 = 2**(1.D0/6.D0)
t32 = t20**(1.D0/6.D0)
t35 = dexp(-0.1038340679664977D1*t31*t32)
t38 = (0.1247511874D1+0.812904345D0*t29-0.859614445D0*t35)**2
t40 = 0.3141592653589793D1**(1.D0/3.D0)
t43 = sigma**2
t45 = rho**2
t46 = t45**2
t48 = rho**(1.D0/3.D0)
t50 = 1/t48/t46/rho
t52 = 1/t40/0.3141592653589793D1*t43*t17*t50
t55 = (0.1D1+0.4116400544093991D0*t52)**2
t58 = t40**2
t61 = t48**2
t63 = 1/t61/t45
t71 = dexp(0.8232801088187983D0*t52)
t76 = expei(-0.1858628590577086D0/t15*t17*t21/t38/t55*(0.1D1
#+0.3634859066227017D0/t58*sigma*t17*t63/t21)*t71)
t78 = t2**(1.D0/15.D0)
t79 = t78**2
t81 = dexp(-0.5940962989070748D0*t79)
t84 = dexp(-0.9630597286858919D0*t5)
t87 = (0.1247511874D1+0.812904345D0*t81-0.859614445D0*t84)**2
t89 = t3/t87
t90 = t43*t50
t93 = (0.1D1+0.1127183082292567D0*t90)**2
t94 = 1/t93
t99 = 0.1D1+0.312690210142125D0*sigma*t63/t3
t102 = dexp(0.2254366164585135D0*t90)
t104 = t89*t94*t99*t102
t105 = dsqrt(t104)
t123 = 0.7772672717413724D-2*rho*t13*(1.D0*t76+(0.6D1
#+0.5091195559614694D0*t105+0.6480068056560093D-1*t104)/(0.3D1
#+0.763679333942204D0*t105+0.972010208484014D-1*t104)*
#(0.1620017014140023D-1*t89*t94*t99*t76*t102+0.1D1))
zk(i) = zk(i)+2*t123
endif
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.6837598574312962D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rho**2
t12 = rho**(1.D0/3.D0)
t13 = t12**2
t16 = sigma/t13/t11
t18 = sigma**2
t19 = t11**2
t23 = t18/t12/t19/rho
t26 = (0.1D1+0.1101034845366882D0*t16+0.1105998838086603D-2*t23)
#**2
t34 = dexp(-0.1105998838086603D-2*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.1197592668846558D0*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t4 = 2**(1.D0/3.D0)
t7 = 1/rho
t8 = 1/0.3141592653589793D1*t7
t9 = t8**(1.D0/3.D0)
t11 = 2**(1.D0/15.D0)
t12 = t11**2
t13 = t12**2
t14 = t8**(1.D0/15.D0)
t15 = t14**2
t16 = t15**2
t19 = dexp(-0.7712625328179681D-1*t13*t16)
t22 = (0.942486901D0+0.349064173D0*t19)**2
t24 = 0.3141592653589793D1**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25*sigma
t28 = t4**2
t29 = rho**2
t30 = rho**(1.D0/3.D0)
t31 = t30**2
t33 = 1/t31/t29
t39 = sigma**2
t41 = t29**2
t44 = 1/t30/t41/rho
t46 = 1/t24/0.3141592653589793D1*t39*t4*t44
t49 = (0.1D1+0.1487810599361293D0*t27*t28*t33
#+0.4039037038781002D-2*t46)**2
t59 = dexp(0.8078074077562004D-2*t46)
t64 = expei(-0.1858628590577086D0/t2*t4*t9/t22/t49*(0.1D1
#+0.1392138426088027D0*t27*t4*t33/t9)*t59)
t66 = t7**(1.D0/3.D0)
t67 = t7**(1.D0/15.D0)
t68 = t67**2
t69 = t68**2
t71 = dexp(-0.6837598574312962D-1*t69)
t74 = (0.942486901D0+0.349064173D0*t71)**2
t76 = t66/t74
t77 = sigma*t33
t79 = t39*t44
t82 = (0.1D1+0.1101034845366882D0*t77+0.1105998838086603D-2*t79)
#**2
t83 = 1/t82
t87 = 0.1D1+0.1197592668846558D0*t77/t66
t90 = dexp(0.2211997676173206D-2*t79)
t92 = t76*t83*t87*t90
t93 = dsqrt(t92)
t111 = 0.7772672717413724D-2*rho*(1.D0*t64+(0.6D1
#+0.5091195559614694D0*t93+0.6480068056560093D-1*t92)/(0.3D1
#+0.763679333942204D0*t93+0.972010208484014D-1*t92)*
#(0.1620017014140023D-1*t76*t83*t87*t64*t90+0.1D1))
zk(i) = zk(i)+2*t111
endif
endif ! rho
enddo
else if(ideriv.eq.1) then
do i=1,npt
rho = dmax1(0.D0,rhoa1(i))
zk(i) = 0.D0
vrhoa(i) = 0.D0
vsigmaaa(i) = 0.D0
if(rho.gt.tolmin) then
sigma = dmax1(0.D0,sigmaaa1(i))
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5940962989070748D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.9630597286858919D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigma**2
t15 = rho**2
t16 = t15**2
t18 = rho**(1.D0/3.D0)
t21 = t14/t18/t16/rho
t24 = (0.1D1+0.1127183082292567D0*t21)**2
t26 = t18**2
t36 = dexp(-0.1127183082292567D0*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.312690210142125D0*sigma/t26/t15/t2)*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rho
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.8301627136974294D0*t5+0.1354632918982911D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.6108870577108572D0*t4*t10)
t14 = rho*t13
t15 = 0.3141592653589793D1**2
t17 = 2**(1.D0/3.D0)
t20 = 1/0.3141592653589793D1*t2
t21 = t20**(1.D0/3.D0)
t23 = 2**(1.D0/15.D0)
t24 = t23**2
t25 = t20**(1.D0/15.D0)
t26 = t25**2
t29 = dexp(-0.630966299458536D0*t24*t26)
t31 = 2**(1.D0/6.D0)
t32 = t20**(1.D0/6.D0)
t35 = dexp(-0.1038340679664977D1*t31*t32)
t38 = (0.1247511874D1+0.812904345D0*t29-0.859614445D0*t35)**2
t40 = 0.3141592653589793D1**(1.D0/3.D0)
t43 = sigma**2
t45 = rho**2
t46 = t45**2
t48 = rho**(1.D0/3.D0)
t50 = 1/t48/t46/rho
t52 = 1/t40/0.3141592653589793D1*t43*t17*t50
t55 = (0.1D1+0.4116400544093991D0*t52)**2
t58 = t40**2
t61 = t48**2
t63 = 1/t61/t45
t71 = dexp(0.8232801088187983D0*t52)
t76 = expei(-0.1858628590577086D0/t15*t17*t21/t38/t55*(0.1D1
#+0.3634859066227017D0/t58*sigma*t17*t63/t21)*t71)
t78 = t2**(1.D0/15.D0)
t79 = t78**2
t81 = dexp(-0.5940962989070748D0*t79)
t84 = dexp(-0.9630597286858919D0*t5)
t86 = 0.1247511874D1+0.812904345D0*t81-0.859614445D0*t84
t87 = t86**2
t88 = 1/t87
t89 = t3*t88
t90 = t43*t50
t92 = 0.1D1+0.1127183082292567D0*t90
t93 = t92**2
t94 = 1/t93
t96 = 1/t3
t99 = 0.1D1+0.312690210142125D0*sigma*t63*t96
t100 = t94*t99
t102 = dexp(0.2254366164585135D0*t90)
t104 = t89*t100*t102
t105 = dsqrt(t104)
t108 = 0.6D1+0.5091195559614694D0*t105+0.6480068056560093D-1*t104
t111 = 0.3D1+0.763679333942204D0*t105+0.972010208484014D-1*t104
t112 = 1/t111
t113 = t108*t112
t114 = t89*t94
t115 = t99*t76
t119 = 0.1620017014140023D-1*t114*t115*t102+0.1D1
t121 = 1.D0*t76+t113*t119
t123 = 0.7772672717413724D-2*t14*t121
zk(i) = zk(i)+2*t123
t125 = t13*t121
t128 = 1/t45
t134 = t5**2
t135 = t134**2
t138 = 1/t135/t5*t128
t140 = 1/t4
t151 = t140*t88*t94
t152 = t99*t102
t154 = t151*t152*t128
t155 = 0.1080011342760016D-1*t154
t159 = t3/t87/t86*t94
t160 = t79**2
t162 = t160**2
t170 = 0.1287849233946613D0/t162/t160/t78*t128*t81
#-0.2759533513920579D0*t138*t84
t172 = t159*t152*t170
t173 = 0.3240034028280047D-1*t172
t175 = 1/t93/t92
t176 = t89*t175
t179 = 1/t48/t46/t45
t181 = t152*t43*t179
t182 = t176*t181
t183 = 0.389558564557814D-1*t182
t197 = -0.1667681120758D1*sigma/t61/t45/rho*t96
#+0.20846014009475D0*sigma/t61/t46/t3/t2
t200 = t89*t94*t197*t102
t201 = 0.1620017014140023D-1*t200
t202 = t114*t181
t203 = 0.389558564557814D-1*t202
t204 = -t155-t173+t183+t201-t203
t213 = dexp(-0.2254366164585135D0*t90)
t214 = t93/t99*t213
t217 = 1/t105
t224 = t217*(-0.5810796994275671D-1*t154-0.1743239098282701D0
#*t172+0.2095946261306892D0*t182+0.8716195491413506D-1*t200
#-0.2095946261306892D0*t202)
t234 = t111**2
t236 = t108/t234
t256 = t89*t175*t99
t259 = t76*t43*t179*t102
t266 = t89*t100
t270 = t76*t102
t274 = -0.1080011342760016D-1*t151*t115*t128*t102
#-0.3240034028280047D-1*t159*t115*t170*t102+0.389558564557814D-1
#*t256*t259+0.1620017014140023D-1*t114*t197*t76*t102
#-0.389558564557814D-1*t266*t259+0.1620017014140023D-1*t114*t99
#*t204*t270-t155-t173+t183+t201-t203
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t125
#+0.7772672717413724D-2*rho*(0.8145160769478096D0*t96*t10*t128
#+0.1221774115421714D1*t4/t9/t8*(-0.2767209045658098D0*t138
#-0.9030886126552743D0*t140*t128))*t125+0.7772672717413724D-2*t14
#*(1.D0*t204*t76+0.6172774676263781D2*t204*t96*t87*t214+
#(0.2920537730383703D1*t224-0.4320045371040062D-1*t154
#-0.1296013611312019D0*t172+0.1558234258231256D0*t182
#+0.6480068056560093D-1*t200-0.1558234258231256D0*t202)*t112*t119
#-1.D0*t236*t119*(0.4380806595575555D1*t224-0.6480068056560093D-1
#*t154-0.1944020416968028D0*t172+0.2337351387346884D0*t182
#+0.972010208484014D-1*t200-0.2337351387346884D0*t202)+t113*t274)
t281 = t152*sigma*t50
t282 = t176*t281
t283 = 0.2921689234183605D-1*t282
t284 = t88*t94
t286 = t284*t63*t102
t287 = 0.2026253842341047D-1*t286
t288 = t114*t281
t289 = 0.2921689234183605D-1*t288
t290 = -t283+t287+t289
t302 = t217*(-0.1571959695980169D0*t282+0.1090187599939973D0
#*t286+0.1571959695980169D0*t288)
t320 = t76*sigma*t50*t102
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*t14*(1.D0*t290
#*t76+0.6172774676263781D2*t290*t96*t87*t214+
#(0.2920537730383703D1*t302-0.1168675693673442D0*t282
#+0.8105015369364188D-1*t286+0.1168675693673442D0*t288)*t112*t119
#-1.D0*t236*t119*(0.4380806595575555D1*t302-0.1753013540510163D0
#*t282+0.1215752305404628D0*t286+0.1753013540510163D0*t288)+t113*
#(-0.2921689234183605D-1*t256*t320+0.2026253842341047D-1*t284*t63
#*t76*t102+0.2921689234183605D-1*t266*t320+0.1620017014140023D-1
#*t114*t99*t290*t270-t283+t287+t289))
endif
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.6837598574312962D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rho**2
t12 = rho**(1.D0/3.D0)
t13 = t12**2
t16 = sigma/t13/t11
t18 = sigma**2
t19 = t11**2
t23 = t18/t12/t19/rho
t26 = (0.1D1+0.1101034845366882D0*t16+0.1105998838086603D-2*t23)
#**2
t34 = dexp(-0.1105998838086603D-2*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.1197592668846558D0*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t4 = 2**(1.D0/3.D0)
t7 = 1/rho
t8 = 1/0.3141592653589793D1*t7
t9 = t8**(1.D0/3.D0)
t11 = 2**(1.D0/15.D0)
t12 = t11**2
t13 = t12**2
t14 = t8**(1.D0/15.D0)
t15 = t14**2
t16 = t15**2
t19 = dexp(-0.7712625328179681D-1*t13*t16)
t22 = (0.942486901D0+0.349064173D0*t19)**2
t24 = 0.3141592653589793D1**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25*sigma
t28 = t4**2
t29 = rho**2
t30 = rho**(1.D0/3.D0)
t31 = t30**2
t33 = 1/t31/t29
t39 = sigma**2
t41 = t29**2
t44 = 1/t30/t41/rho
t46 = 1/t24/0.3141592653589793D1*t39*t4*t44
t49 = (0.1D1+0.1487810599361293D0*t27*t28*t33
#+0.4039037038781002D-2*t46)**2
t59 = dexp(0.8078074077562004D-2*t46)
t64 = expei(-0.1858628590577086D0/t2*t4*t9/t22/t49*(0.1D1
#+0.1392138426088027D0*t27*t4*t33/t9)*t59)
t66 = t7**(1.D0/3.D0)
t67 = t7**(1.D0/15.D0)
t68 = t67**2
t69 = t68**2
t70 = 0.6837598574312962D-1*t69
t71 = dexp(-t70)
t73 = 0.942486901D0+0.349064173D0*t71
t74 = t73**2
t75 = 1/t74
t76 = t66*t75
t77 = sigma*t33
t79 = t39*t44
t81 = 0.1D1+0.1101034845366882D0*t77+0.1105998838086603D-2*t79
t82 = t81**2
t83 = 1/t82
t84 = 1/t66
t87 = 0.1D1+0.1197592668846558D0*t77*t84
t88 = t83*t87
t89 = 0.2211997676173206D-2*t79
t90 = dexp(t89)
t92 = t76*t88*t90
t93 = dsqrt(t92)
t96 = 0.6D1+0.5091195559614694D0*t93+0.6480068056560093D-1*t92
t99 = 0.3D1+0.763679333942204D0*t93+0.972010208484014D-1*t92
t100 = 1/t99
t101 = t96*t100
t102 = t76*t83
t103 = t87*t64
t107 = 0.1620017014140023D-1*t102*t103*t90+0.1D1
t108 = t101*t107
t111 = 0.7772672717413724D-2*rho*(1.D0*t64+t108)
zk(i) = zk(i)+2*t111
t113 = t66**2
t116 = 1/t113*t75*t83
t117 = t87*t90
t118 = 1/t29
t120 = t116*t117*t118
t121 = 0.1080011342760016D-1*t120
t122 = t7**(1.D0/5.D0)
t123 = t122**2
t128 = 1/t123/t74/t73*t83
t131 = dexp(t89-t70)
t133 = t128*t87*t118*t131
t134 = 0.4124365791094649D-3*t133
t137 = t76/t82/t81
t141 = sigma/t31/t29/rho
t145 = 1/t30/t41/t29
t146 = t39*t145
t148 = -0.5872185841956702D0*t141-0.1179732093959043D-1*t146
t150 = t137*t117*t148
t151 = 0.3240034028280047D-1*t150
t161 = -0.6387160900514977D0*t141*t84+0.7983951125643721D-1
#*sigma/t31/t41/t66/t7
t164 = t76*t83*t161*t90
t165 = 0.1620017014140023D-1*t164
t167 = t102*t117*t146
t168 = 0.3822372128681373D-3*t167
t169 = -t121-t134-t151+t165-t168
t178 = dexp(-0.2211997676173206D-2*t79)
t179 = t82/t87*t178
t182 = 1/t93
t189 = t182*(-0.5810796994275671D-1*t120-0.2219037096493859D-2
#*t133-0.1743239098282701D0*t150+0.8716195491413506D-1*t164
#-0.2056555111688325D-2*t167)
t199 = t99**2
t201 = t96/t199
t228 = t76*t88
t235 = t64*t90
t239 = -0.1080011342760016D-1*t116*t103*t118*t90
#-0.4124365791094649D-3*t128*t103*t118*t131-0.3240034028280047D-1
#*t137*t103*t148*t90+0.1620017014140023D-1*t102*t161*t64*t90
#-0.3822372128681373D-3*t228*t64*t39*t145*t90
#+0.1620017014140023D-1*t102*t87*t169*t235-t121-t134-t151+t165-t168
vrhoa(i) = vrhoa(i)+0.7772672717413724D-2*rho*(1.D0*t169*t64
#+0.6172774676263781D2*t169*t84*t74*t179+(0.2920537730383703D1
#*t189-0.4320045371040062D-1*t120-0.164974631643786D-2*t133
#-0.1296013611312019D0*t150+0.6480068056560093D-1*t164
#-0.1528948851472549D-2*t167)*t100*t107-1.D0*t201*t107*
#(0.4380806595575555D1*t189-0.6480068056560093D-1*t120
#-0.2474619474656789D-2*t133-0.1944020416968028D0*t150
#+0.972010208484014D-1*t164-0.2293423277208824D-2*t167)+t101*t239
#)+0.1554534543482745D-1*t64+0.1554534543482745D-1*t108
t248 = sigma*t44
t250 = 0.4404139381467527D0*t33+0.8847990704692823D-2*t248
t252 = t137*t117*t250
t253 = 0.3240034028280047D-1*t252
t254 = t75*t83
t256 = t254*t33*t90
t257 = 0.7760481998163131D-2*t256
t259 = t102*t117*t248
t260 = 0.286677909651103D-3*t259
t261 = -t253+t257+t260
t273 = t182*(-0.1743239098282701D0*t252+0.4175380728300095D-1
#*t256+0.1542416333766244D-2*t259)
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*rho*(1.D0*t261
#*t64+0.6172774676263781D2*t261*t84*t74*t179+
#(0.2920537730383703D1*t273-0.1296013611312019D0*t252
#+0.3104192799265252D-1*t256+0.1146711638604412D-2*t259)*t100
#*t107-1.D0*t201*t107*(0.4380806595575555D1*t273
#-0.1944020416968028D0*t252+0.4656289198897879D-1*t256
#+0.1720067457906618D-2*t259)+t101*(-0.3240034028280047D-1*t137
#*t103*t250*t90+0.7760481998163131D-2*t254*t33*t64*t90
#+0.286677909651103D-3*t228*t64*sigma*t44*t90
#+0.1620017014140023D-1*t102*t87*t261*t235-t253+t257+t260))
endif
endif ! rho
enddo
else if(ideriv.eq.2) then
do i=1,npt
rho = dmax1(0.D0,rhoa1(i))
zk(i) = 0.D0
vrhoa(i) = 0.D0
vsigmaaa(i) = 0.D0
v2rhoa2(i) = 0.D0
v2rhoasigmaaa(i) = 0.D0
v2sigmaaa2(i) = 0.D0
if(rho.gt.tolmin) then
sigma = dmax1(0.D0,sigmaaa1(i))
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t6 = dexp(-0.5940962989070748D0*t4)
t8 = t1**(1.D0/6.D0)
t10 = dexp(-0.9630597286858919D0*t8)
t13 = (0.1247511874D1+0.812904345D0*t6-0.859614445D0*t10)**2
t14 = sigma**2
t15 = rho**2
t16 = t15**2
t18 = rho**(1.D0/3.D0)
t21 = t14/t18/t16/rho
t24 = (0.1D1+0.1127183082292567D0*t21)**2
t26 = t18**2
t36 = dexp(-0.1127183082292567D0*t21)
t37 = t36**2
trcaa = t13*t24/(0.1D1+0.312690210142125D0*sigma/t26/t15/t2)*t37
if(trsa.lt.tolmax*trcaa) then
t2 = 1/rho
t3 = t2**(1.D0/3.D0)
t4 = t3**2
t5 = t2**(1.D0/6.D0)
t8 = 0.8301627136974294D0*t5+0.1354632918982911D1*t3
t9 = t8**2
t10 = 1/t9
t13 = dexp(-0.6108870577108572D0*t4*t10)
t14 = rho*t13
t15 = 0.3141592653589793D1**2
t17 = 2**(1.D0/3.D0)
t20 = 1/0.3141592653589793D1*t2
t21 = t20**(1.D0/3.D0)
t23 = 2**(1.D0/15.D0)
t24 = t23**2
t25 = t20**(1.D0/15.D0)
t26 = t25**2
t29 = dexp(-0.630966299458536D0*t24*t26)
t31 = 2**(1.D0/6.D0)
t32 = t20**(1.D0/6.D0)
t35 = dexp(-0.1038340679664977D1*t31*t32)
t38 = (0.1247511874D1+0.812904345D0*t29-0.859614445D0*t35)**2
t40 = 0.3141592653589793D1**(1.D0/3.D0)
t43 = sigma**2
t45 = rho**2
t46 = t45**2
t47 = t46*rho
t48 = rho**(1.D0/3.D0)
t50 = 1/t48/t47
t52 = 1/t40/0.3141592653589793D1*t43*t17*t50
t55 = (0.1D1+0.4116400544093991D0*t52)**2
t58 = t40**2
t61 = t48**2
t63 = 1/t61/t45
t71 = dexp(0.8232801088187983D0*t52)
t76 = expei(-0.1858628590577086D0/t15*t17*t21/t38/t55*(0.1D1
#+0.3634859066227017D0/t58*sigma*t17*t63/t21)*t71)
t78 = t2**(1.D0/15.D0)
t79 = t78**2
t81 = dexp(-0.5940962989070748D0*t79)
t84 = dexp(-0.9630597286858919D0*t5)
t86 = 0.1247511874D1+0.812904345D0*t81-0.859614445D0*t84
t87 = t86**2
t88 = 1/t87
t89 = t3*t88
t90 = t43*t50
t92 = 0.1D1+0.1127183082292567D0*t90
t93 = t92**2
t94 = 1/t93
t96 = 1/t3
t99 = 0.1D1+0.312690210142125D0*sigma*t63*t96
t100 = t94*t99
t102 = dexp(0.2254366164585135D0*t90)
t104 = t89*t100*t102
t105 = dsqrt(t104)
t108 = 0.6D1+0.5091195559614694D0*t105+0.6480068056560093D-1*t104
t111 = 0.3D1+0.763679333942204D0*t105+0.972010208484014D-1*t104
t112 = 1/t111
t113 = t108*t112
t114 = t89*t94
t115 = t99*t76
t119 = 0.1620017014140023D-1*t114*t115*t102+0.1D1
t121 = 1.D0*t76+t113*t119
t123 = 0.7772672717413724D-2*t14*t121
zk(i) = zk(i)+2*t123
t125 = t13*t121
t127 = t96*t10
t128 = 1/t45
t132 = 1/t9/t8
t133 = t4*t132
t134 = t5**2
t135 = t134**2
t136 = t135*t5
t137 = 1/t136
t138 = t137*t128
t140 = 1/t4
t143 = -0.2767209045658098D0*t138-0.9030886126552743D0*t140*t128
t146 = 0.8145160769478096D0*t127*t128+0.1221774115421714D1*t133
#*t143
t147 = rho*t146
t150 = t140*t88
t151 = t150*t94
t152 = t99*t102
t154 = t151*t152*t128
t155 = 0.1080011342760016D-1*t154
t157 = 1/t87/t86
t158 = t3*t157
t159 = t158*t94
t160 = t79**2
t162 = t160**2
t163 = t162*t160*t78
t164 = 1/t163
t170 = 0.1287849233946613D0*t164*t128*t81-0.2759533513920579D0
#*t138*t84
t172 = t159*t152*t170
t173 = 0.3240034028280047D-1*t172
t175 = 1/t93/t92
t176 = t89*t175
t177 = t46*t45
t179 = 1/t48/t177
t180 = t43*t179
t181 = t152*t180
t182 = t176*t181
t183 = 0.389558564557814D-1*t182
t184 = t45*rho
t186 = 1/t61/t184
t191 = 1/t61/t46
t192 = sigma*t191
t194 = 1/t3/t2
t197 = -0.1667681120758D1*sigma*t186*t96+0.20846014009475D0*t192
#*t194
t198 = t94*t197
t200 = t89*t198*t102
t201 = 0.1620017014140023D-1*t200
t202 = t114*t181
t203 = 0.389558564557814D-1*t202
t204 = -t155-t173+t183+t201-t203
t205 = t204*t76
t207 = -t204
t208 = t207*t96
t209 = t208*t87
t210 = 1/t99
t211 = t93*t210
t213 = dexp(-0.2254366164585135D0*t90)
t214 = t211*t213
t217 = 1/t105
t223 = -0.5810796994275671D-1*t154-0.1743239098282701D0*t172
#+0.2095946261306892D0*t182+0.8716195491413506D-1*t200
#-0.2095946261306892D0*t202
t224 = t217*t223
t231 = 0.2920537730383703D1*t224-0.4320045371040062D-1*t154
#-0.1296013611312019D0*t172+0.1558234258231256D0*t182
#+0.6480068056560093D-1*t200-0.1558234258231256D0*t202
t232 = t231*t112
t234 = t111**2
t235 = 1/t234
t236 = t108*t235
t243 = 0.4380806595575555D1*t224-0.6480068056560093D-1*t154
#-0.1944020416968028D0*t172+0.2337351387346884D0*t182
#+0.972010208484014D-1*t200-0.2337351387346884D0*t202
t244 = t119*t243
t247 = t128*t102
t251 = t170*t102
t255 = t175*t99
t256 = t89*t255
t257 = t76*t43
t258 = t179*t102
t259 = t257*t258
t262 = t197*t76
t266 = t89*t100
t270 = t76*t102
t274 = -0.1080011342760016D-1*t151*t115*t247
#-0.3240034028280047D-1*t159*t115*t251+0.389558564557814D-1*t256
#*t259+0.1620017014140023D-1*t114*t262*t102-0.389558564557814D-1
#*t266*t259+0.1620017014140023D-1*t114*t99*t204*t270-t155-t173
#+t183+t201-t203
t276 = 1.D0*t205-0.6172774676263781D2*t209*t214+t232*t119-1.D0
#*t236*t244+t113*t274
vrhoa(i) = vrhoa(i)+0.1554534543482745D-1*t125
#+0.7772672717413724D-2*t147*t125+0.7772672717413724D-2*t14*t276
t280 = sigma*t50
t281 = t152*t280
t282 = t176*t281
t283 = 0.2921689234183605D-1*t282
t284 = t88*t94
t285 = t63*t102
t286 = t284*t285
t287 = 0.2026253842341047D-1*t286
t288 = t114*t281
t289 = 0.2921689234183605D-1*t288
t290 = -t283+t287+t289
t291 = t290*t76
t293 = -t290
t294 = t293*t96
t301 = -0.1571959695980169D0*t282+0.1090187599939973D0*t286
#+0.1571959695980169D0*t288
t302 = t217*t301
t307 = 0.2920537730383703D1*t302-0.1168675693673442D0*t282
#+0.8105015369364188D-1*t286+0.1168675693673442D0*t288
t308 = t307*t112
t314 = 0.4380806595575555D1*t302-0.1753013540510163D0*t282
#+0.1215752305404628D0*t286+0.1753013540510163D0*t288
t315 = t119*t314
t318 = t76*sigma
t319 = t50*t102
t320 = t318*t319
t333 = -0.2921689234183605D-1*t256*t320+0.2026253842341047D-1
#*t284*t63*t76*t102+0.2921689234183605D-1*t266*t320
#+0.1620017014140023D-1*t114*t99*t290*t270-t283+t287+t289
t335 = 1.D0*t291-0.6172774676263781D2*t294*t87*t214+t308*t119
#-1.D0*t236*t315+t113*t333
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*t14*t335
t342 = t13*t276
t345 = 1/t46
t352 = 1/t184
t355 = t9**2
t358 = t143**2
t363 = 1/t136/t2*t345
t365 = t137*t352
t368 = 1/t4/t2
t369 = t368*t345
t380 = t146**2
t386 = t140*t157
t390 = t386*t94*t152*t128*t170
t391 = 0.4320045371040062D-1*t390
t392 = t197*t102
t394 = t151*t392*t128
t395 = 0.2160022685520031D-1*t394
t397 = t151*t152*t352
t398 = 0.4320045371040062D-1*t397
t400 = t368*t88*t94
t402 = t400*t152*t345
t403 = 0.1440015123680021D-1*t402
t404 = t150*t175
t405 = t46**2
t407 = 1/t48/t405
t409 = t152*t407*t43
t410 = t404*t409
t411 = 0.5194114194104187D-1*t410
t412 = t151*t409
t413 = 0.5194114194104187D-1*t412
t414 = t87**2
t417 = t3/t414*t94
t418 = t170**2
t420 = t417*t152*t418
t421 = 0.972010208484014D-1*t420
t423 = t159*t392*t170
t424 = 0.6480068056560093D-1*t423
t446 = 0.2232272005507463D0/t163/t2*t345*t81
#-0.5151396935786452D0*t164*t352*t81+0.2040283902501318D-1/t162
#/t79/t78/t2*t345*t81-0.4599222523200964D0*t363*t84
#+0.1103813405568231D1*t365*t84-0.8858651990719928D-1*t369*t84
t448 = t159*t152*t446
t449 = 0.3240034028280047D-1*t448
t450 = t158*t255
t451 = t251*t180
t452 = t450*t451
t453 = 0.1558234258231256D0*t452
t454 = t158*t100
t455 = t454*t451
t456 = 0.1558234258231256D0*t455
t457 = t392*t180
t458 = t176*t457
t459 = 0.779117129115628D-1*t458
t462 = 1/t48/t46/t184
t464 = t152*t43*t462
t465 = t176*t464
t466 = 0.4934408484398978D0*t465
t467 = t93**2
t468 = 1/t467
t469 = t89*t468
t470 = t43**2
t473 = 1/t61/t405/t46
t475 = t152*t470*t473
t476 = t469*t475
t477 = 0.1405132235301584D0*t476
t478 = t176*t475
t479 = 0.1873509647068778D0*t478
t494 = 0.1222966155222533D2*t192*t96-0.3057415388056333D1*sigma
#/t61/t47*t194+0.5558937069193333D0*sigma/t61/t177/t3/t128
t497 = t89*t94*t494*t102
t498 = 0.1620017014140023D-1*t497
t499 = t114*t457
t500 = 0.779117129115628D-1*t499
t501 = t114*t464
t502 = 0.4934408484398978D0*t501
t503 = t114*t475
t504 = 0.9367548235343892D-1*t503
t505 = t391-t395+t398-t403-t411+t413+t421-t424-t449-t453+t456
#+t459-t466+t477-t479+t498-t500+t502+t504
t508 = t204**2
t511 = t204*t207
t513 = t87*t93
t515 = t513*t210*t213
t523 = t207**2
t539 = t87*t92
t540 = t208*t539
t543 = t210*t43*t179*t213
t546 = t99**2
t548 = t93/t546
t553 = t208*t513
t577 = 1/t105/t104
t578 = t223**2
t579 = t577*t578
t600 = 0.2324318797710268D0*t390-0.1162159398855134D0*t394
#+0.2324318797710268D0*t397-0.7747729325700894D-1*t402
#-0.2794595015075856D0*t410+0.2794595015075856D0*t412
#+0.5229717294848104D0*t420-0.3486478196565402D0*t423
#-0.1743239098282701D0*t448-0.8383785045227567D0*t452
#+0.8383785045227567D0*t455+0.4191892522613783D0*t458
#-0.2654865264322063D1*t465+0.7560048534846353D0*t476
#-0.1008006471312847D1*t478+0.8716195491413506D-1*t497
#-0.4191892522613783D0*t499+0.2654865264322063D1*t501
#+0.5040032356564235D0*t503
t601 = t217*t600
t603 = 0.6232937032925024D0*t455+0.3116468516462512D0*t458
#-0.1973763393759591D1*t465+0.5620528941206335D0*t476
#-0.7494038588275113D0*t478+0.6480068056560093D-1*t497
#-0.3116468516462512D0*t499+0.1973763393759591D1*t501
#+0.3747019294137557D0*t503-0.1675351208713011D2*t579
#+0.2920537730383703D1*t601
t607 = t231*t235
t614 = t108/t234/t111
t615 = t243**2
t644 = 0.9349405549387536D0*t455+0.4674702774693768D0*t458
#-0.2960645090639387D1*t465+0.8430793411809502D0*t476
#-0.1124105788241267D1*t478+0.972010208484014D-1*t497
#-0.4674702774693768D0*t499+0.2960645090639387D1*t501
#+0.5620528941206335D0*t503-0.2513026813069517D2*t579
#+0.4380806595575555D1*t601
t659 = 1/t86
t666 = t150*t100
t670 = 1/t92
t675 = t89*t175*t197
t679 = t257*t462*t102
t682 = -0.6480068056560093D-1*t159*t262*t251
#+0.972010208484014D-1*t417*t115*t418*t102-0.6480068056560093D-1
#*t454*t205*t251+0.2D1*t659*t207*t170-0.1D1*t197*t207*t210
#-0.2160022685520031D-1*t666*t205*t247-t403-t411-t395
#-0.2404657242224144D1*t670*t207*t180+t391+0.779117129115628D-1
#*t675*t259+0.4934408484398978D0*t266*t679
t683 = t76*t170
t684 = t180*t102
t685 = t683*t684
t696 = t76*t470*t473*t102
t702 = t150*t255
t705 = t76*t407*t43*t102
t708 = t89*t198
t711 = t398+t413+t421-0.1558234258231256D0*t450*t685
#+0.1620017014140023D-1*t114*t99*t505*t270+0.1558234258231256D0
#*t454*t685+t477+0.9367548235343892D-1*t266*t696
#+0.2404657242224144D1*t207*t43*t179-0.5194114194104187D-1*t702
#*t705+t459-t466-0.779117129115628D-1*t708*t259
t716 = t89*t468*t99
t723 = -t449-t453+t456-t424-t500+t502+t504-0.4934408484398978D0
#*t256*t679+0.1405132235301584D0*t716*t696-t479
#-0.1873509647068778D0*t256*t696+t498+0.5194114194104187D-1*t666
#*t705
t724 = t205*t684
t765 = 0.779117129115628D-1*t256*t724-0.779117129115628D-1*t266
#*t724-0.1D1*t523-0.2160022685520031D-1*t151*t262*t247
#+0.4320045371040062D-1*t386*t100*t76*t128*t251
#+0.1620017014140023D-1*t114*t99*t508*t270-0.2D1*t511
#+0.6666666666666667D0*t2*t207+0.4320045371040062D-1*t151*t115
#*t352*t102-0.1440015123680021D-1*t400*t115*t345*t102
#+0.3240034028280047D-1*t114*t197*t204*t270+0.1620017014140023D-1
#*t114*t494*t76*t102-0.3240034028280047D-1*t159*t115*t446*t102
s1 = 1.D0*t505*t76+1.D0*t508*t76-0.1234554935252756D3*t511*t96
#*t515+0.6172774676263781D2*t505*t96*t87*t214
#-0.6172774676263781D2*t523*t96*t87*t214-0.4115183117509188D2
#*t207*t194*t87*t211*t128*t213-0.1234554935252756D3*t208*t86*t211
#*t170*t213+0.148434073298955D3*t540*t543
t769 = s1+0.6172774676263781D2*t209*t548*t197*t213
#-0.148434073298955D3*t553*t543+(0.1728018148416025D0*t390
#-0.8640090742080124D-1*t394+0.1728018148416025D0*t397
#-0.5760060494720083D-1*t402-0.2077645677641675D0*t410
#+0.2077645677641675D0*t412+0.3888040833936056D0*t420
#-0.2592027222624037D0*t423-0.1296013611312019D0*t448
#-0.6232937032925024D0*t452+t603)*t112*t119-2.D0*t607*t244+2.D0
#*t232*t274+2.D0*t614*t119*t615-2.D0*t236*t274*t243-1.D0*t236
#*t119*(0.2592027222624037D0*t390-0.1296013611312019D0*t394
#+0.2592027222624037D0*t397-0.8640090742080124D-1*t402
#-0.3116468516462512D0*t410+0.3116468516462512D0*t412
#+0.5832061250904084D0*t420-0.3888040833936056D0*t423
#-0.1944020416968028D0*t448-0.9349405549387536D0*t452+t644)+t113*
#(t682+t711+t723+t765)
v2rhoa2(i) = v2rhoa2(i)+0.310906908696549D-1*t146*t13*t121
#+0.310906908696549D-1*t342+0.7772672717413724D-2*rho*
#(0.5430107179652064D0*t194*t10*t345-0.3258064307791238D1*t96
#*t132*t128*t143-0.3258064307791238D1*t127*t352
#-0.3665322346265143D1*t4/t355*t358+0.1221774115421714D1*t133*(
#-0.461201507609683D0*t363+0.1106883618263239D1*t365
#-0.1204118150207032D1*t369+0.3612354450621097D1*t140*t352))*t125
#+0.7772672717413724D-2*rho*t380*t125+0.1554534543482745D-1*t147
#*t342+0.7772672717413724D-2*t14*t769
t773 = t13*t335
t778 = t152*t462*sigma
t779 = t404*t778
t780 = 0.194779282278907D-1*t779
t781 = t186*t88
t783 = t781*t94*t102
t784 = 0.1350835894894031D-1*t783
t785 = t151*t778
t786 = 0.194779282278907D-1*t785
t787 = t251*t280
t788 = t450*t787
t789 = 0.584337846836721D-1*t788
t790 = t157*t94
t792 = t790*t285*t170
t793 = 0.4052507684682094D-1*t792
t794 = t454*t787
t795 = 0.584337846836721D-1*t794
t796 = t43*sigma
t799 = 1/t61/t405/t184
t801 = t152*t796*t799
t802 = t469*t801
t803 = 0.1053849176476188D0*t802
t804 = t88*t175
t806 = 1/t405/rho
t808 = t806*t102*t43
t809 = t804*t808
t810 = 0.4872445976569897D-1*t809
t811 = t176*t801
t812 = 0.1405132235301584D0*t811
t814 = t152*sigma*t179
t815 = t176*t814
t816 = 0.3116468516462512D0*t815
t817 = t392*t280
t818 = t176*t817
t819 = 0.2921689234183605D-1*t818
t824 = -0.6670724483032D1*t186*t96+0.8338405603789999D0*t191*t194
t827 = t89*t94*t824*t102
t828 = 0.1620017014140023D-1*t827
t829 = t114*t817
t830 = 0.2921689234183605D-1*t829
t831 = t284*t808
t832 = 0.4872445976569897D-1*t831
t833 = t114*t801
t834 = 0.7025661176507919D-1*t833
t835 = t114*t814
t836 = 0.3116468516462512D0*t835
t837 = t780-t784-t786+t789-t793-t795-t803+t810+t812+t816-t819
#+t828+t830-t832-t834-t836
t840 = t204*t290
t843 = t204*t293
t847 = t290*t207
t856 = t207*t293
t862 = t210*sigma*t50*t213
t868 = t548*t63*t213
t874 = t577*t223*t301
t892 = 0.1047973130653446D0*t779-0.7267917332933151D-1*t783
#-0.1047973130653446D0*t785+0.3143919391960338D0*t788
#-0.2180375199879945D0*t792-0.3143919391960338D0*t794
#-0.5670036401134764D0*t802+0.2621527507578613D0*t809
#+0.7560048534846353D0*t811+0.1676757009045513D1*t815
#-0.1571959695980169D0*t818+0.8716195491413506D-1*t827
#+0.1571959695980169D0*t829-0.2621527507578613D0*t831
#-0.3780024267423176D0*t833-0.1676757009045513D1*t835
t893 = t217*t892
t911 = -0.1675351208713011D2*t874+0.2920537730383703D1*t893
#+0.779117129115628D-1*t779-0.5403343579576125D-1*t783
#-0.779117129115628D-1*t785+0.2337351387346884D0*t788
#-0.1621003073872838D0*t792-0.2337351387346884D0*t794
#-0.4215396705904751D0*t802+0.1948978390627959D0*t809
#+0.5620528941206335D0*t811+0.1246587406585005D1*t815
#-0.1168675693673442D0*t818+0.6480068056560093D-1*t827
#+0.1168675693673442D0*t829-0.1948978390627959D0*t831
#-0.2810264470603167D0*t833-0.1246587406585005D1*t835
t917 = t307*t235
t944 = -0.2513026813069517D2*t874+0.4380806595575555D1*t893
#+0.1168675693673442D0*t779-0.8105015369364188D-1*t783
#-0.1168675693673442D0*t785+0.3506027081020326D0*t788
#-0.2431504610809256D0*t792-0.3506027081020326D0*t794
#-0.6323095058857127D0*t802+0.2923467585941938D0*t809
#+0.8430793411809502D0*t811+0.1869881109877507D1*t815
#-0.1753013540510163D0*t818+0.972010208484014D-1*t827
#+0.1753013540510163D0*t829-0.2923467585941938D0*t831
#-0.4215396705904751D0*t833-0.1869881109877507D1*t835
t958 = t670*t293
t990 = 0.2D1*t659*t293*t170-0.1D1*t197*t293*t210-t784
#-0.2404657242224144D1*t958*t180+0.1620017014140023D-1*t114*t197
#*t290*t270+0.1620017014140023D-1*t114*t824*t76*t102
#+0.1620017014140023D-1*t114*t99*t837*t270-0.1350835894894031D-1
#*t781*t94*t76*t102-0.3240034028280047D-1*t454*t291*t251
#-0.1080011342760016D-1*t666*t291*t247-0.4052507684682094D-1*t790
#*t63*t683*t102+0.1620017014140023D-1*t266*t840*t270
t993 = t284*t63
t999 = t76*t796*t799*t102
t1005 = t280*t102
t1006 = t683*t1005
t1011 = t76*t462*sigma*t102
t1015 = t257*t102
t1018 = t205*t1005
t1021 = -0.1D1*t843-0.1D1*t847+0.2026253842341047D-1*t993*t205
#*t102+0.1405132235301584D0*t256*t999-0.1D1*t856
#+0.6666666666666667D0*t2*t293+0.584337846836721D-1*t450*t1006
#-0.194779282278907D-1*t666*t1011-t793+0.4872445976569897D-1*t804
#*t806*t1015-t795+0.2921689234183605D-1*t266*t1018-t803
t1025 = t318*t258
t1028 = t291*t684
t1031 = t810+t812+t789+t780-0.2921689234183605D-1*t256*t1018
#-t786-t836+0.3116468516462512D0*t256*t1025+0.389558564557814D-1
#*t256*t1028+t830-t832-t834
t1054 = t816+0.2921689234183605D-1*t708*t320-t819
#-0.584337846836721D-1*t454*t1006+t828-0.7025661176507919D-1*t266
#*t999-0.3116468516462512D0*t266*t1025-0.4872445976569897D-1*t284
#*t806*t1015-0.1053849176476188D0*t716*t999+0.2404657242224144D1
#*t293*t43*t179-0.2921689234183605D-1*t675*t320
#+0.194779282278907D-1*t702*t1011-0.389558564557814D-1*t266*t1028
t1058 = 1.D0*t837*t76+1.D0*t840*t76-0.6172774676263781D2*t843
#*t96*t515-0.6172774676263781D2*t847*t96*t515
#+0.6172774676263781D2*t837*t96*t87*t214-0.6172774676263781D2
#*t856*t96*t515-0.1113255549742162D3*t540*t862
#+0.7720664842723637D2*t207*t140*t87*t868+0.1113255549742162D3
#*t553*t862+t911*t112*t119-1.D0*t607*t315+t232*t333-1.D0*t917
#*t244+2.D0*t614*t244*t314-1.D0*t236*t333*t243-1.D0*t236*t119
#*t944+t308*t274-1.D0*t236*t274*t314+t113*(t990+t1021+t1031+t1054)
v2rhoasigmaaa(i) = v2rhoasigmaaa(i)+0.1554534543482745D-1*t773
#+0.7772672717413724D-2*t147*t773+0.7772672717413724D-2*t14*t1058
t1064 = 1/t61/t405/t45
t1066 = t152*t43*t1064
t1067 = t469*t1066
t1068 = 0.7903868823571409D-1*t1067
t1069 = 1/t405
t1071 = t1069*t102*sigma
t1072 = t804*t1071
t1073 = 0.7308668964854846D-1*t1072
t1074 = t176*t1066
t1075 = 0.1053849176476188D0*t1074
t1076 = t152*t50
t1077 = t176*t1076
t1078 = 0.1168675693673442D0*t1077
t1079 = t284*t1071
t1080 = 0.7308668964854846D-1*t1079
t1081 = t114*t1066
t1082 = 0.5269245882380939D-1*t1081
t1083 = t114*t1076
t1084 = 0.1168675693673442D0*t1083
t1085 = t1068-t1073-t1075-t1078+t1080+t1082+t1084
t1088 = t290**2
t1091 = t290*t293
t1100 = t293**2
t1115 = t301**2
t1116 = t577*t1115
t1126 = t217*(0.4252527300851073D0*t1067-0.3932291261367919D0
#*t1072-0.5670036401134764D0*t1074-0.6287838783920675D0*t1077
#+0.3932291261367919D0*t1079+0.2835018200567382D0*t1081
#+0.6287838783920675D0*t1083)
t1142 = t314**2
t1163 = t318*t102
t1167 = t257*t1064*t102
t1170 = t291*t1005
t1175 = t115*t319
t1190 = -0.7308668964854846D-1*t804*t1069*t1163
#-0.1053849176476188D0*t256*t1167-0.584337846836721D-1*t256*t1170
#+0.1803492931668108D1*t958*t280-0.1168675693673442D0*t176*t1175
#+0.7903868823571409D-1*t716*t1167-0.12507608405685D1*t63*t293
#*t96*t210+0.1620017014140023D-1*t114*t99*t1088*t270-0.2D1*t1091
#-0.1D1*t1100+t1068-t1073
t1210 = -t1075-t1078+t1080+t1082+t1084+0.1620017014140023D-1
#*t114*t99*t1085*t270+0.5269245882380939D-1*t266*t1167
#+0.584337846836721D-1*t266*t1170-0.1803492931668108D1*t293*sigma
#*t50+0.1168675693673442D0*t114*t1175+0.7308668964854846D-1*t284
#*t1069*t1163+0.4052507684682094D-1*t993*t291*t102
s1 = 1.D0*t1085*t76+1.D0*t1088*t76-0.1234554935252756D3*t1091
#*t96*t515+0.6172774676263781D2*t1085*t96*t87*t214
#-0.6172774676263781D2*t1100*t96*t87*t214-0.1113255549742162D3
#*t294*t539*t862+0.7720664842723637D2*t293*t140*t87*t868
t1213 = s1+0.1113255549742162D3*t294*t513*t862+(
#-0.1675351208713011D2*t1116+0.2920537730383703D1*t1126
#+0.3161547529428563D0*t1067-0.2923467585941938D0*t1072
#-0.4215396705904751D0*t1074-0.4674702774693768D0*t1077
#+0.2923467585941938D0*t1079+0.2107698352952376D0*t1081
#+0.4674702774693768D0*t1083)*t112*t119-2.D0*t917*t315+2.D0*t308
#*t333+2.D0*t614*t119*t1142-2.D0*t236*t333*t314-1.D0*t236*t119*(
#-0.2513026813069517D2*t1116+0.4380806595575555D1*t1126
#+0.4742321294142845D0*t1067-0.4385201378912907D0*t1072
#-0.6323095058857127D0*t1074-0.7012054162040652D0*t1077
#+0.4385201378912907D0*t1079+0.3161547529428563D0*t1081
#+0.7012054162040652D0*t1083)+t113*(t1190+t1210)
v2sigmaaa2(i) = v2sigmaaa2(i)+0.1554534543482745D-1*t14*t1213
endif
t1 = 1/rho
t2 = t1**(1.D0/3.D0)
trsa = 0.1620017014140023D-1*t2
t3 = t1**(1.D0/15.D0)
t4 = t3**2
t5 = t4**2
t7 = dexp(-0.6837598574312962D-1*t5)
t10 = (0.942486901D0+0.349064173D0*t7)**2
t11 = rho**2
t12 = rho**(1.D0/3.D0)
t13 = t12**2
t16 = sigma/t13/t11
t18 = sigma**2
t19 = t11**2
t23 = t18/t12/t19/rho
t26 = (0.1D1+0.1101034845366882D0*t16+0.1105998838086603D-2*t23)
#**2
t34 = dexp(-0.1105998838086603D-2*t23)
t35 = t34**2
trcba = t10*t26/(0.1D1+0.1197592668846558D0*t16/t2)*t35
if(trsa.lt.tolmax*trcba) then
t2 = 0.3141592653589793D1**2
t4 = 2**(1.D0/3.D0)
t7 = 1/rho
t8 = 1/0.3141592653589793D1*t7
t9 = t8**(1.D0/3.D0)
t11 = 2**(1.D0/15.D0)
t12 = t11**2
t13 = t12**2
t14 = t8**(1.D0/15.D0)
t15 = t14**2
t16 = t15**2
t19 = dexp(-0.7712625328179681D-1*t13*t16)
t22 = (0.942486901D0+0.349064173D0*t19)**2
t24 = 0.3141592653589793D1**(1.D0/3.D0)
t25 = t24**2
t27 = 1/t25*sigma
t28 = t4**2
t29 = rho**2
t30 = rho**(1.D0/3.D0)
t31 = t30**2
t33 = 1/t31/t29
t39 = sigma**2
t41 = t29**2
t42 = t41*rho
t44 = 1/t30/t42
t46 = 1/t24/0.3141592653589793D1*t39*t4*t44
t49 = (0.1D1+0.1487810599361293D0*t27*t28*t33
#+0.4039037038781002D-2*t46)**2
t59 = dexp(0.8078074077562004D-2*t46)
t64 = expei(-0.1858628590577086D0/t2*t4*t9/t22/t49*(0.1D1
#+0.1392138426088027D0*t27*t4*t33/t9)*t59)
t66 = t7**(1.D0/3.D0)
t67 = t7**(1.D0/15.D0)
t68 = t67**2
t69 = t68**2
t70 = 0.6837598574312962D-1*t69
t71 = dexp(-t70)
t73 = 0.942486901D0+0.349064173D0*t71
t74 = t73**2
t75 = 1/t74
t76 = t66*t75
t77 = sigma*t33
t79 = t39*t44
t81 = 0.1D1+0.1101034845366882D0*t77+0.1105998838086603D-2*t79
t82 = t81**2
t83 = 1/t82
t84 = 1/t66
t87 = 0.1D1+0.1197592668846558D0*t77*t84
t88 = t83*t87
t89 = 0.2211997676173206D-2*t79
t90 = dexp(t89)
t92 = t76*t88*t90
t93 = dsqrt(t92)
t96 = 0.6D1+0.5091195559614694D0*t93+0.6480068056560093D-1*t92
t99 = 0.3D1+0.763679333942204D0*t93+0.972010208484014D-1*t92
t100 = 1/t99
t101 = t96*t100
t102 = t76*t83
t103 = t87*t64
t107 = 0.1620017014140023D-1*t102*t103*t90+0.1D1
t108 = t101*t107
t111 = 0.7772672717413724D-2*rho*(1.D0*t64+t108)
zk(i) = zk(i)+2*t111
t113 = t66**2
t114 = 1/t113
t115 = t114*t75
t116 = t115*t83
t117 = t87*t90
t118 = 1/t29
t120 = t116*t117*t118
t121 = 0.1080011342760016D-1*t120
t122 = t7**(1.D0/5.D0)
t123 = t122**2
t126 = 1/t74/t73
t127 = 1/t123*t126
t128 = t127*t83
t129 = t87*t118
t131 = dexp(t89-t70)
t133 = t128*t129*t131
t134 = 0.4124365791094649D-3*t133
t136 = 1/t82/t81
t137 = t76*t136
t138 = t29*rho
t140 = 1/t31/t138
t141 = sigma*t140
t143 = t41*t29
t145 = 1/t30/t143
t146 = t39*t145
t148 = -0.5872185841956702D0*t141-0.1179732093959043D-1*t146
t150 = t137*t117*t148
t151 = 0.3240034028280047D-1*t150
t155 = 1/t31/t41
t156 = sigma*t155
t158 = 1/t66/t7
t161 = -0.6387160900514977D0*t141*t84+0.7983951125643721D-1*t156
#*t158
t162 = t83*t161
t164 = t76*t162*t90
t165 = 0.1620017014140023D-1*t164
t167 = t102*t117*t146
t168 = 0.3822372128681373D-3*t167
t169 = -t121-t134-t151+t165-t168
t170 = t169*t64
t172 = -t169
t173 = t172*t84
t174 = t173*t74
t175 = 1/t87
t176 = t82*t175
t177 = 0.2211997676173206D-2*t79
t178 = dexp(-t177)
t179 = t176*t178
t180 = t174*t179
t182 = 1/t93
t188 = -0.5810796994275671D-1*t120-0.2219037096493859D-2*t133
#-0.1743239098282701D0*t150+0.8716195491413506D-1*t164
#-0.2056555111688325D-2*t167
t189 = t182*t188
t196 = 0.2920537730383703D1*t189-0.4320045371040062D-1*t120
#-0.164974631643786D-2*t133-0.1296013611312019D0*t150
#+0.6480068056560093D-1*t164-0.1528948851472549D-2*t167
t197 = t196*t100
t198 = t197*t107
t199 = t99**2
t200 = 1/t199
t201 = t96*t200
t208 = 0.4380806595575555D1*t189-0.6480068056560093D-1*t120
#-0.2474619474656789D-2*t133-0.1944020416968028D0*t150
#+0.972010208484014D-1*t164-0.2293423277208824D-2*t167
t209 = t107*t208
t210 = t201*t209
t212 = t118*t90
t216 = t118*t131
t220 = t148*t90
t224 = t161*t64
t228 = t76*t88
t229 = t64*t39
t230 = t145*t90
t231 = t229*t230
t235 = t64*t90
t239 = -0.1080011342760016D-1*t116*t103*t212
#-0.4124365791094649D-3*t128*t103*t216-0.3240034028280047D-1*t137
#*t103*t220+0.1620017014140023D-1*t102*t224*t90
#-0.3822372128681373D-3*t228*t231+0.1620017014140023D-1*t102*t87
#*t169*t235-t121-t134-t151+t165-t168
t240 = t101*t239
vrhoa(i) = vrhoa(i)+0.7772672717413724D-2*rho*(1.D0*t170
#-0.6172774676263781D2*t180+t198-1.D0*t210+t240)
#+0.1554534543482745D-1*t64+0.1554534543482745D-1*t108
t248 = sigma*t44
t250 = 0.4404139381467527D0*t33+0.8847990704692823D-2*t248
t252 = t137*t117*t250
t253 = 0.3240034028280047D-1*t252
t254 = t75*t83
t255 = t33*t90
t256 = t254*t255
t257 = 0.7760481998163131D-2*t256
t259 = t102*t117*t248
t260 = 0.286677909651103D-3*t259
t261 = -t253+t257+t260
t262 = t261*t64
t264 = -t261
t265 = t264*t84
t266 = t265*t74
t267 = t266*t179
t272 = -0.1743239098282701D0*t252+0.4175380728300095D-1*t256
#+0.1542416333766244D-2*t259
t273 = t182*t272
t278 = 0.2920537730383703D1*t273-0.1296013611312019D0*t252
#+0.3104192799265252D-1*t256+0.1146711638604412D-2*t259
t279 = t278*t100
t280 = t279*t107
t285 = 0.4380806595575555D1*t273-0.1944020416968028D0*t252
#+0.4656289198897879D-1*t256+0.1720067457906618D-2*t259
t286 = t107*t285
t287 = t201*t286
t289 = t250*t90
t297 = t64*sigma
t298 = t44*t90
t299 = t297*t298
t306 = -0.3240034028280047D-1*t137*t103*t289
#+0.7760481998163131D-2*t254*t33*t64*t90+0.286677909651103D-3
#*t228*t299+0.1620017014140023D-1*t102*t87*t261*t235-t253+t257+t260
t307 = t101*t306
vsigmaaa(i) = vsigmaaa(i)+0.1554534543482745D-1*rho*(1.D0*t262
#-0.6172774676263781D2*t267+t280-1.D0*t287+t307)
t314 = 1/t30/t41/t138
t315 = t39*t314
t317 = t102*t117*t315
t318 = 0.4841671362996405D-2*t317
t319 = t39**2
t320 = t41**2
t323 = 1/t31/t320/t41
t326 = t102*t117*t319*t323
t327 = 0.9018750150519921D-5*t326
t342 = 0.4683917993710983D1*t156*t84-0.1170979498427746D1*sigma
#/t31/t42*t158+0.2129053633504992D0*sigma/t31/t143/t66/t118
t345 = t76*t83*t342*t90
t346 = 0.1620017014140023D-1*t345
t347 = t161*t90
t349 = t102*t347*t146
t350 = 0.7644744257362745D-3*t349
t351 = t136*t87
t352 = t76*t351
t354 = t352*t220*t146
t355 = 0.1528948851472549D-2*t354
t357 = 1/t68/t7
t359 = t357*t126*t83
t360 = 1/t41
t361 = t87*t360
t362 = t361*t131
t363 = t359*t362
t364 = 0.1504040408167142D-4*t363
t365 = t82**2
t366 = 1/t365
t367 = t76*t366
t368 = t148**2
t370 = t367*t117*t368
t371 = 0.972010208484014D-1*t370
t373 = t137*t347*t148
t374 = 0.6480068056560093D-1*t373
t377 = 0.4306269617434915D1*t156+0.1494327319014788D0*t315
t379 = t137*t117*t377
t380 = 0.3240034028280047D-1*t379
t381 = 1/t138
t384 = t128*t87*t381*t131
t385 = 0.164974631643786D-2*t384
t386 = t74**2
t389 = t357/t386*t83
t392 = dexp(t89-0.1367519714862592D0*t69)
t394 = t389*t361*t392
t395 = 0.1575019863706338D-4*t394
t397 = 1/t30/t320
t399 = t39*t131
t401 = t128*t87*t397*t399
t402 = 0.1946258676392454D-4*t401
t403 = t127*t136
t404 = t148*t131
t406 = t403*t129*t404
t407 = 0.164974631643786D-2*t406
t410 = t128*t161*t118*t131
t411 = 0.8248731582189298D-3*t410
t412 = t115*t136
t415 = t412*t117*t118*t148
t416 = 0.4320045371040062D-1*t415
t418 = t116*t347*t118
t419 = 0.2160022685520031D-1*t418
t421 = t116*t117*t381
t422 = 0.4320045371040062D-1*t421
t426 = 1/t113/t7*t75*t83
t428 = t426*t117*t360
t429 = 0.1440015123680021D-1*t428
t433 = 1/t123/t7*t126*t83
t434 = t433*t362
t435 = 0.5499154388126198D-4*t434
t438 = t116*t117*t397*t39
t439 = 0.5096496171575164D-3*t438
t440 = t318+t327+t346-t350+t355-t364+t371-t374-t380+t385+t395
#+t402+t407-t411+t416-t419+t422-t429-t435+t439
t443 = t169**2
t446 = t169*t172
t448 = t74*t82
t450 = t448*t175*t178
t458 = t172**2
t474 = dexp(-t177-t70)
t479 = t81*t175
t484 = t87**2
t486 = t82/t484
t491 = t173*t448
t517 = 0.2604969808138545D-1*t317+0.4852368136508483D-4*t326
#+0.8716195491413506D-1*t345-0.411311022337665D-2*t349
#+0.8226220446753301D-2*t354-0.809220527324479D-4*t363
#+0.5229717294848104D0*t370-0.3486478196565402D0*t373
#-0.1743239098282701D0*t379+0.8876148385975435D-2*t384
#+0.8474096824354295D-4*t394+0.1047147712167798D-3*t401
#+0.8876148385975435D-2*t406-0.4438074192987717D-2*t410
#+0.2324318797710268D0*t415-0.1162159398855134D0*t418
#+0.2324318797710268D0*t421-0.7747729325700894D-1*t428
#-0.2958716128658478D-3*t434+0.27420734822511D-2*t438
t518 = t182*t517
t530 = 0.2920537730383703D1*t518+0.1936668545198562D-1*t317
#+0.3607500060207969D-4*t326+0.6480068056560093D-1*t345
#-0.3057897702945098D-2*t349+0.6115795405890196D-2*t354
#-0.601616163266857D-4*t363+0.3888040833936056D0*t370
#-0.2592027222624037D0*t373-0.1296013611312019D0*t379
#+0.6598985265751438D-2*t384
t542 = 1/t93/t92
t543 = t188**2
t544 = t542*t543
t546 = 0.6300079454825353D-4*t394+0.7785034705569816D-4*t401
#+0.6598985265751438D-2*t406-0.3299492632875719D-2*t410
#+0.1728018148416025D0*t415-0.8640090742080124D-1*t418
#+0.1728018148416025D0*t421-0.5760060494720083D-1*t428
#-0.2199661755250479D-3*t434+0.2038598468630065D-2*t438
#-0.1675351208713011D2*t544
t550 = t196*t200
t557 = t96/t199/t99
t558 = t208**2
t576 = 0.4380806595575555D1*t518+0.2905002817797843D-1*t317
#+0.5411250090311953D-4*t326+0.972010208484014D-1*t345
#-0.4586846554417647D-2*t349+0.9173693108835294D-2*t354
#-0.9024242449002855D-4*t363+0.5832061250904084D0*t370
#-0.3888040833936056D0*t373-0.1944020416968028D0*t379
#+0.9898477898627157D-2*t384
t588 = 0.9450119182238029D-4*t394+0.1167755205835472D-3*t401
#+0.9898477898627157D-2*t406-0.4949238949313579D-2*t410
#+0.2592027222624037D0*t415-0.1296013611312019D0*t418
#+0.2592027222624037D0*t421-0.8640090742080124D-1*t428
#-0.3299492632875719D-3*t434+0.3057897702945098D-2*t438
#-0.2513026813069517D2*t544
t596 = 1/t81
t608 = t103*t360*t131
t611 = t115*t351
t612 = t64*t118
t619 = -0.1D1*t161*t172*t175+0.2D1*t596*t172*t148-t364
#-0.8248731582189298D-3*t128*t224*t216-0.1440015123680021D-1*t426
#*t103*t360*t90+t355-0.5499154388126198D-4*t433*t608-t350
#+0.4320045371040062D-1*t611*t612*t220+t346-0.2160022685520031D-1
#*t116*t224*t212+t327+t318
t633 = t402+t395+t385-t380+0.1620017014140023D-1*t102*t342*t64
#*t90-t374+0.972010208484014D-1*t367*t103*t368*t90+t371+t422-t419
#-0.1504040408167142D-4*t359*t608+t416-t411-0.6480068056560093D-1
#*t137*t224*t220
t636 = t69**2
t638 = 1/t636/t68/t67
t640 = t638/t73
t670 = t127*t351
t674 = t407+0.2545878071091769D-1*t640*t172*t118*t71
#+0.4320045371040062D-1*t116*t103*t381*t90+0.1620017014140023D-1
#*t102*t87*t443*t235-t435+t439-t429+0.1575019863706338D-4*t389
#*t103*t360*t392-0.3240034028280047D-1*t137*t103*t377*t90-0.1D1
#*t458+0.1620017014140023D-1*t102*t87*t440*t235
#+0.164974631643786D-2*t128*t103*t381*t131+0.164974631643786D-2
#*t670*t612*t404
t679 = t115*t88
t686 = t127*t88
t693 = t64*t397
t694 = t39*t90
t713 = t76*t162
t716 = t64*t148
t717 = t146*t90
t724 = 0.3240034028280047D-1*t102*t161*t169*t235
#-0.2160022685520031D-1*t679*t170*t212-0.6480068056560093D-1*t352
#*t170*t220-0.8248731582189298D-3*t686*t170*t216
#+0.2359464187918086D-1*t172*t39*t145+0.5096496171575164D-3*t679
#*t693*t694+0.6666666666666667D0*t7*t172-0.2D1*t446
#+0.1946258676392454D-4*t686*t693*t399+0.9018750150519921D-5*t228
#*t64*t319*t323*t90+0.4841671362996405D-2*t228*t229*t314*t90
#-0.7644744257362745D-3*t713*t231+0.1528948851472549D-2*t352*t716
#*t717-0.7644744257362745D-3*t228*t170*t717
t728 = 1.D0*t440*t64+1.D0*t443*t64-0.1234554935252756D3*t446*t84
#*t450+0.6172774676263781D2*t440*t84*t74*t179
#-0.6172774676263781D2*t458*t84*t74*t179-0.4115183117509188D2
#*t172*t158*t74*t176*t118*t178-0.1571513168609055D1*t172/t67/t7
#*t73*t176*t118*t474-0.1234554935252756D3*t174*t479*t148*t178
#+0.6172774676263781D2*t174*t486*t161*t178-0.1456444078873205D1
#*t491*t175*t39*t145*t178+(t530+t546)*t100*t107-2.D0*t550*t209
#+2.D0*t197*t239+2.D0*t557*t107*t558-2.D0*t201*t239*t208-1.D0
#*t201*t107*(t576+t588)+t101*(t619+t633+t674+t724)
v2rhoa2(i) = v2rhoa2(i)+0.7772672717413724D-2*rho*t728
#+0.310906908696549D-1*t170-0.1919158292677513D1*t180
#+0.310906908696549D-1*t198-0.310906908696549D-1*t210
#+0.310906908696549D-1*t240
t739 = t412*t117*t118*t250
t740 = 0.2160022685520031D-1*t739
t741 = t140*t75
t743 = t741*t83*t90
t744 = 0.5173654665442087D-2*t743
t747 = t116*t117*t314*sigma
t748 = 0.1911186064340686D-3*t747
t749 = t250*t131
t751 = t403*t129*t749
t752 = 0.8248731582189298D-3*t751
t753 = t638*t126
t756 = t753*t83*t155*t131
t757 = 0.1975724094022595D-3*t756
t759 = sigma*t131
t761 = t128*t87*t314*t759
t762 = 0.7298470036471703D-5*t761
t765 = t367*t117*t148*t250
t766 = 0.972010208484014D-1*t765
t767 = t75*t136
t769 = t767*t255*t148
t770 = 0.1552096399632626D-1*t769
t772 = t352*t220*t248
t773 = 0.5733558193022059D-3*t772
t775 = sigma*t145
t777 = -0.2348874336782681D1*t140-0.9437856751672345D-1*t775
t779 = t137*t117*t777
t780 = 0.3240034028280047D-1*t779
t782 = t137*t347*t250
t783 = 0.3240034028280047D-1*t782
t788 = -0.2554864360205991D1*t140*t84+0.3193580450257488D0*t155
#*t158
t791 = t76*t83*t788*t90
t792 = 0.1620017014140023D-1*t791
t794 = t102*t347*t248
t795 = 0.286677909651103D-3*t794
t796 = t145*t250
t798 = t352*t694*t796
t799 = 0.7644744257362745D-3*t798
t801 = 1/t320/rho
t804 = t254*t801*t90*t39
t805 = 0.183105793556489D-3*t804
t806 = t39*sigma
t809 = 1/t31/t320/t138
t812 = t102*t117*t806*t809
t813 = 0.6764062612889941D-5*t812
t815 = t102*t117*t775
t816 = 0.3057897702945098D-2*t815
t817 = t740-t744-t748+t752-t757-t762+t766-t770-t773-t780-t783
#+t792+t795+t799-t805-t813-t816
t820 = t169*t261
t823 = t169*t264
t827 = t261*t172
t836 = t172*t264
t841 = t479*t250*t178
t847 = t486*t33*t178
t852 = t175*sigma*t44*t178
t856 = t542*t188*t272
t875 = 0.1162159398855134D0*t739-0.2783587152200063D-1*t743
#-0.1028277555844163D-2*t747+0.4438074192987717D-2*t751
#-0.1063001023463839D-2*t756-0.3926803920629242D-4*t761
#+0.5229717294848104D0*t765-0.835076145660019D-1*t769
#-0.3084832667532488D-2*t772-0.1743239098282701D0*t779
#-0.1743239098282701D0*t782+0.8716195491413506D-1*t791
#+0.1542416333766244D-2*t794+0.411311022337665D-2*t798
#-0.9851661299347411D-3*t804-0.3639276102381362D-4*t812
#-0.164524408935066D-1*t815
t876 = t182*t875
t895 = -0.1675351208713011D2*t856+0.2920537730383703D1*t876
#+0.8640090742080124D-1*t739-0.2069461866176835D-1*t743
#-0.7644744257362745D-3*t747+0.3299492632875719D-2*t751
#-0.7902896376090378D-3*t756-0.2919388014588681D-4*t761
#+0.3888040833936056D0*t765-0.6208385598530505D-1*t769
#-0.2293423277208824D-2*t772-0.1296013611312019D0*t779
#-0.1296013611312019D0*t782+0.6480068056560093D-1*t791
#+0.1146711638604412D-2*t794+0.3057897702945098D-2*t798
#-0.7324231742259559D-3*t804-0.2705625045155976D-4*t812
#-0.1223159081178039D-1*t815
t901 = t278*t200
t929 = -0.2513026813069517D2*t856+0.4380806595575555D1*t876
#+0.1296013611312019D0*t739-0.3104192799265252D-1*t743
#-0.1146711638604412D-2*t747+0.4949238949313579D-2*t751
#-0.1185434456413557D-2*t756-0.4379082021883022D-4*t761
#+0.5832061250904084D0*t765-0.9312578397795757D-1*t769
#-0.3440134915813235D-2*t772-0.1944020416968028D0*t779
#-0.1944020416968028D0*t782+0.972010208484014D-1*t791
#+0.1720067457906618D-2*t794+0.4586846554417647D-2*t798
#-0.1098634761338934D-2*t804-0.4058437567733965D-4*t812
#-0.1834738621767059D-1*t815
t942 = t64*t314
t970 = t248*t90
t974 = 0.1620017014140023D-1*t228*t820*t235-t744-0.1D1*t836
#-0.1D1*t827-0.7298470036471703D-5*t686*t942*t759
#-0.1911186064340686D-3*t679*t942*sigma*t90-0.6764062612889941D-5
#*t228*t64*t806*t809*t90-0.183105793556489D-3*t254*t801*t229*t90
#-0.3057897702945098D-2*t228*t297*t230-0.3822372128681373D-3*t228
#*t262*t717+0.2359464187918086D-1*t264*t39*t145
#+0.286677909651103D-3*t713*t299+0.286677909651103D-3*t228*t170
#*t970
t997 = t254*t33
t1019 = 0.7644744257362745D-3*t352*t229*t796*t90
#-0.5733558193022059D-3*t352*t716*t970-0.1080011342760016D-1*t679
#*t262*t212-0.3240034028280047D-1*t137*t103*t777*t90
#-0.4124365791094649D-3*t686*t262*t216+0.972010208484014D-1*t76
#*t366*t87*t716*t289+0.7760481998163131D-2*t997*t170*t90
#+0.8248731582189298D-3*t670*t612*t749-0.3240034028280047D-1*t137
#*t224*t289-0.3240034028280047D-1*t352*t262*t220
#-0.1975724094022595D-3*t753*t83*t155*t64*t131+t740
#+0.1620017014140023D-1*t102*t161*t261*t235
t1036 = -t748+t752-t757-0.5173654665442087D-2*t741*t83*t64*t90
#-t762+0.1620017014140023D-1*t102*t788*t64*t90+t766-t770
#+0.2160022685520031D-1*t611*t612*t289-t773+0.2545878071091769D-1
#*t640*t264*t118*t71-t780-t783
t1044 = t767*t33
t1048 = t596*t264
t1057 = t792+t795+t799-t805-t813-t816+0.6666666666666667D0*t7
#*t264-0.1D1*t823+0.1620017014140023D-1*t102*t87*t817*t235
#-0.1552096399632626D-1*t1044*t716*t90+0.2D1*t1048*t148-0.1D1
#*t161*t264*t175-0.3240034028280047D-1*t352*t170*t289
t1061 = 1.D0*t817*t64+1.D0*t820*t64-0.6172774676263781D2*t823
#*t84*t450-0.6172774676263781D2*t827*t84*t450
#+0.6172774676263781D2*t817*t84*t74*t179-0.6172774676263781D2
#*t836*t84*t450-0.1234554935252756D3*t174*t841
#+0.2956987879494076D2*t172*t114*t74*t847+0.1092333059154904D1
#*t491*t852+t895*t100*t107-1.D0*t550*t286+t197*t306-1.D0*t901
#*t209+2.D0*t557*t209*t285-1.D0*t201*t306*t208-1.D0*t201*t107
#*t929+t279*t239-1.D0*t201*t239*t285+t101*(t974+t1019+t1036+t1057)
v2rhoasigmaaa(i) = v2rhoasigmaaa(i)+0.7772672717413724D-2*rho
#*t1061+0.1554534543482745D-1*t262-0.9595791463387565D0*t267
#+0.1554534543482745D-1*t280-0.1554534543482745D-1*t287
#+0.1554534543482745D-1*t307
t1070 = t250**2
t1072 = t367*t117*t1070
t1073 = 0.972010208484014D-1*t1072
t1075 = t767*t255*t250
t1076 = 0.3104192799265252D-1*t1075
t1078 = t352*t289*t248
t1079 = 0.1146711638604412D-2*t1078
t1080 = t117*t44
t1081 = t137*t1080
t1082 = 0.1146711638604412D-2*t1081
t1083 = 1/t320
t1086 = t254*t1083*t90*sigma
t1087 = 0.2746586903347335D-3*t1086
t1090 = 1/t31/t320/t29
t1093 = t102*t117*t39*t1090
t1094 = 0.5073046959667456D-5*t1093
t1095 = t102*t1080
t1096 = 0.1146711638604412D-2*t1095
t1097 = t1073-t1076-t1079-t1082+t1087+t1094+t1096
t1100 = t261**2
t1103 = t261*t264
t1112 = t264**2
t1126 = t272**2
t1127 = t542*t1126
t1137 = t182*(0.5229717294848104D0*t1072-0.1670152291320038D0
#*t1075-0.6169665335064975D-2*t1078-0.6169665335064975D-2*t1081
#+0.1477749194902112D-2*t1086+0.2729457076786022D-4*t1093
#+0.6169665335064975D-2*t1095)
t1153 = t285**2
t1181 = t103*t298
t1204 = t64*t250
t1211 = 0.972010208484014D-1*t367*t103*t1070*t90
#+0.1620017014140023D-1*t102*t87*t1097*t235+0.1146711638604412D-2
#*t102*t1181+0.5073046959667456D-5*t228*t229*t1090*t90
#-0.1769598140938565D-1*t264*sigma*t44+0.2746586903347335D-3*t254
#*t1083*t297*t90+0.1552096399632626D-1*t997*t262*t90
#-0.4790370675386232D0*t33*t264*t84*t175-0.2D1*t1103-0.1D1*t1112
#-0.3104192799265252D-1*t1044*t1204*t90-0.1146711638604412D-2
#*t352*t1204*t970
t1226 = -0.6480068056560093D-1*t352*t262*t289+0.2D1*t1048*t250
#-0.1146711638604412D-2*t137*t1181+0.5733558193022059D-3*t228
#*t262*t970+0.1620017014140023D-1*t102*t87*t1100*t235+t1073-t1076
#-t1079-t1082+t1087+t1094+t1096
s1 = 1.D0*t1097*t64+1.D0*t1100*t64-0.1234554935252756D3*t1103
#*t84*t450+0.6172774676263781D2*t1097*t84*t74*t179
#-0.6172774676263781D2*t1112*t84*t74*t179-0.1234554935252756D3
#*t266*t841+0.2956987879494076D2*t264*t114*t74*t847
t1229 = s1+0.1092333059154904D1*t265*t448*t852+(
#-0.1675351208713011D2*t1127+0.2920537730383703D1*t1137
#+0.3888040833936056D0*t1072-0.1241677119706101D0*t1075
#-0.4586846554417647D-2*t1078-0.4586846554417647D-2*t1081
#+0.1098634761338934D-2*t1086+0.2029218783866982D-4*t1093
#+0.4586846554417647D-2*t1095)*t100*t107-2.D0*t901*t286+2.D0*t279
#*t306+2.D0*t557*t107*t1153-2.D0*t201*t306*t285-1.D0*t201*t107*(
#-0.2513026813069517D2*t1127+0.4380806595575555D1*t1137
#+0.5832061250904084D0*t1072-0.1862515679559151D0*t1075
#-0.6880269831626471D-2*t1078-0.6880269831626471D-2*t1081
#+0.1647952142008401D-2*t1086+0.3043828175800473D-4*t1093
#+0.6880269831626471D-2*t1095)+t101*(t1211+t1226)
v2sigmaaa2(i) = v2sigmaaa2(i)+0.1554534543482745D-1*rho*t1229
endif
endif ! rho
enddo
endif ! ideriv
return
end
c:C_FT97subrend