
谁能帮我写一下下面这个fortran程序流程图。 谢谢了。 5
程序如下。LOCAL-SPIN-DENSITYAPPOXIMATIONPI=2.0*ASIN(1.0)ONETHD=1.0/3.0FORTHD=4.0/3.0CP=0.0...
程序如下。
LOCAL-SPIN-DENSITY APPOXIMATION
PI=2.0*ASIN(1.0)
ONETHD=1.0/3.0
FORTHD=4.0/3.0
CP=0.0666
CF=0.0406
RP=11.4
PF=15.9
ALP=(4.0/(90*PI))**ONETHD
GAMMA=0.297
ZETAF=1.0
ZETAP=0.0
FACT=2.0**FORTHD-2.0
FZETAP=0.0
FZETAF=FACT/FACT
WRITE(6,*)'CALCULATION OF HARTREE POTENTIAL'
WRITE(6,300)
DO 10 I=1,31
R=0.1*FLOAT(I)
RS=0.75**ONETHD*EXP(2.0*R/3.0)
XF=RS/RF
XP=RS/RP
BETA=1.0+0.545*RS*ALOG(1.0+11.4/RS)
DELTA=1.0-0.036*RS-1.36*RS/(1.0+10.0*RS)
EXPP=-3.0/(2.0*PI*ALP*RS)
EXF=2.0**ONETHD*EXPP
EXCP=EXPP-CP*((1.0+XP*XP*XP)*ALOG(1.0+1.0/xp)+0.5*xp-xp*xp-ONETHD)
EXCF=EXF+(EXCF-EXCP)*FZETAF
POTEXP=-(2.0/(PI*ALP*RS))*(BETA)
POTEXF=-(2.0/(PI*ALP*RS))*(BETA+ONETHD*DELTA*ZETAF/(1.0+GAMMA*ZETAF)
HARTRP=2.0*(1.0/R-EXP(-2.0*R)-EXP(-2.0*R/R)
VTOTF=HARTRP+POTEXF
VTOTP=HARTRP+POTEXP
WRITE(6,3.1)I,R,RS,HARTRP,VTOTP,VTOTF
10 CONTINUE
300 FORMAT(1H,',I R RS HARTREE POT VTOTP VTOTF')
301 FORMAT(1H,I5,2F8.4,5F10.5)
STOP
END 展开
LOCAL-SPIN-DENSITY APPOXIMATION
PI=2.0*ASIN(1.0)
ONETHD=1.0/3.0
FORTHD=4.0/3.0
CP=0.0666
CF=0.0406
RP=11.4
PF=15.9
ALP=(4.0/(90*PI))**ONETHD
GAMMA=0.297
ZETAF=1.0
ZETAP=0.0
FACT=2.0**FORTHD-2.0
FZETAP=0.0
FZETAF=FACT/FACT
WRITE(6,*)'CALCULATION OF HARTREE POTENTIAL'
WRITE(6,300)
DO 10 I=1,31
R=0.1*FLOAT(I)
RS=0.75**ONETHD*EXP(2.0*R/3.0)
XF=RS/RF
XP=RS/RP
BETA=1.0+0.545*RS*ALOG(1.0+11.4/RS)
DELTA=1.0-0.036*RS-1.36*RS/(1.0+10.0*RS)
EXPP=-3.0/(2.0*PI*ALP*RS)
EXF=2.0**ONETHD*EXPP
EXCP=EXPP-CP*((1.0+XP*XP*XP)*ALOG(1.0+1.0/xp)+0.5*xp-xp*xp-ONETHD)
EXCF=EXF+(EXCF-EXCP)*FZETAF
POTEXP=-(2.0/(PI*ALP*RS))*(BETA)
POTEXF=-(2.0/(PI*ALP*RS))*(BETA+ONETHD*DELTA*ZETAF/(1.0+GAMMA*ZETAF)
HARTRP=2.0*(1.0/R-EXP(-2.0*R)-EXP(-2.0*R/R)
VTOTF=HARTRP+POTEXF
VTOTP=HARTRP+POTEXP
WRITE(6,3.1)I,R,RS,HARTRP,VTOTP,VTOTF
10 CONTINUE
300 FORMAT(1H,',I R RS HARTREE POT VTOTP VTOTF')
301 FORMAT(1H,I5,2F8.4,5F10.5)
STOP
END 展开
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