1056 lines
48 KiB
Plaintext
1056 lines
48 KiB
Plaintext
c Stand Juli 2000
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c
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c fuer Version TrimSp7L
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c die entsprechenden Arrays wurden von 3 Layern auf 7 Layern erweitert
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c fuer Version TrimSp7L-test
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c es werden 1000 Stuetzstellen verwendet
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c
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c program trvmc
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cc
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c static trim.sp for reflection and sputtering of a
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c multi-component target
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c
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c w.eckstein ipp/op d-85748 garching frg
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c
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c vectorized version to run on a cray or vp-200
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c (established at ipp garching and ipp nagoya)
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c
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c the compilation on workstations must be done with double
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c precision (IBM : xlf -qautodbl=dblpad)
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c
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c calculated data on disc
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c
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c
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c
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c program description november 1995
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c see w.eckstein , computer simulation of ion-solid interactions,
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c springer series in material science, vol.10,
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c springer, heidelberg, berlin 1991
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c
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c
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c input data (see table 6.1 in book above)
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c
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c 1. record [100 format(2F7.2,1F12.2,7F9.2)]
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c z1 atomic number of projectile
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c m1 mass (in amu) of projectile
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c e0 energy of projectile (in ev)
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c if e0.gt.0. the projectile has the fixed
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c energy e0
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c if e0.lt.0. a maxwellian velocity distribution for
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c the projectile is assumed with an ion
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c temperature ti=-e0
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c if e0.lt.0.and alpha.lt.0. a maxwellian energy
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c distribution for the projectile is assumed with an ion
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c temperature ti=-e0
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c esig sigma of a gaussian energy distribution (in eV)
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c if esig.eq.0. then the particle energy is e0
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c if not then a gaussian energy distribution is used
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c alpha angle of incidence (in degree) with respect to the
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c surface normal
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c if alpha.ge.0. the projectile impinges at the fixed
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c angle of incidence alpha
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c if alpha.gt.90. the projectile starts inside the solid
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c with an angle alpha (x0 should be larger than 0.)
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c if alpha.eq.-1. a random distribution of the projectile
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c is assumed
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c if alpha.lt.-2. a cosine distribution for the projectile
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c is assumed
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c alphasig sigma of a gaussian distribution for alpha. If alpha >= 0. and
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c alphasig > 0. then a gaussian distribution for the angle of
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c incidence is used.
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c ef cutoff energy of projectiles (in ev)
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c ef must be larger than zero
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c esb surface binding energies for projectiles (in ev)
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c sheath sheath potential (in ev)
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c typically 3kT : sheath = 3 |e0|
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c erc recoil cutoff energy; it is usually equal to the
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c surface binding energy (sbe); it can be applied to
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c cases, where erc.gt.sbe
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c
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c 2. record [101 format(I9,3F8.0,1F7.2,1F7.0,2F7.2,6I4,I3)]
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c nh number of projectiles
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c ri initial random number
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c necessary for an exact repetition of a calculation
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c ri2 initial random number for a gaussion energy distribution
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c ri3 initial random number for a gaussion distribution of alpha
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c x0 starting depth of projectile (in a)
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c if x0 is zero or negative the projectile starts at
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c x=-su=-2.*pmax. the uppermost target atoms are at
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c x=0. they do not form a complete layer, they are
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c distributed randomly
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c rd depth to which recoils are followed
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c rd = 50 usually sufficient for sputtering if the
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c projectile energy is not too high
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c rd = 100 cw for following the full cascade
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c cw depth interval for calculated depth distributions (in A)
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c ca correction factor to the firsov screening length
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c for collisions between projectile and target atom
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c (only for application of moliere-potential)
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c usually ca = 1.00
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c kk0 maximum order of weak (simultaneous) collisions
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c between projectiles and target atoms. kk0 must be
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c between 0 and 4 (0 means no weak collisions included)
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c kk0r maximum order of weak (simultaneous) collisions bet-
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c ween target atoms. kk0r must be between 0 and 4
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c kdee1 inelastic energy loss model for projectiles
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c =1 nonlocal, lindhard-scharff
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c =2 local, oen-robinson
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c =3 equipartition of 1 and 2
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c =4 nonlocal, andersen-ziegler tables for hydrogen
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c =5 nonlocal, ziegler tables for helium
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c kdee2 inelastic energy loss for target atoms
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c =1 nonlocal, lindhard-scharff
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c =2 local, oen-robinson
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c =3 equipartition of 1 and 2
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c ipot interaction potential between projectile and target atom
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c =1 krypton-carbon potential
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c =2 moliere potential
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c =3 ziegler-biersack-littmark potential
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c ipotr interaction potential between target atoms
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c =1 krypton-carbon potential
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c =2 moliere potential
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c =3 ziegler-biersack-littmark potential
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c irl =0 no recoils are generated (no sputtering); to speed
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c up the calculation if only ranges are of interest
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c
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c 3. record(for each of three layers) [102 format(3F9.2,6F7.2)]
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c dx(i) layer thickness (in A)
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c rho(i) layer density (in g cm{-3})
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c ck(i) correction factor to the lindhard-scharff nonlocal
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c inelastic energy loss of the projectile
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c
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c records 4 - 14 appear three times for each of the three
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c possible layers
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c
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c 4. record [103 format(5F9.4)]
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c z(i,j) atomic number of target atoms (j<=5) in layer i
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c
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c 5. record [103 format(5F9.4)]
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c m(i,j) mass (in amu) of target atoms (j<=5) in layer i
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c
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c 6. record [103 format(5F9.4)]
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c c(i,j) concentration of target atoms (j<=5) in layer i
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c
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c 7. record [103 format(5F9.4)]
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c sbe(i,j) surface binding energy of target atoms (j<=5)
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c in layer i
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c
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c 8. record [103 format(5F9.4)]
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c ed(i,j) displacement energy of target atoms (j<=5) in layer i
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c
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c 9. record [103 format(5F9.4)]
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c be(i,j) bulk binding energy of target atoms (j<=5) in layer i
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c usually always zero
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c
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c 10.-14.record constants for the nonlocal inelastic energy
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c loss given by the andersen ziegler tables for
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c hydrogen or by the ziegler tables for helium
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c 10. record [107 format(5F12.6)]
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c ch1(i,j) value A-1 of the ziegler tables
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c 11. record [107 format(5F12.6)]
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c ch2(i,j) value A-2 of the ziegler tables
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c 12. record [107 format(5F12.6)]
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c ch3(i,j) value A-3 of the ziegler tables
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c 13. record [107 format(5F12.6)]
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c ch4(i,j) value A-4 of the ziegler tables
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c 14. record [107 format(5F12.6)]
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c ch5(i,j) value A-5 of the ziegler tables
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c
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c
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c
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c additional remarks
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c
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c tt target thickness should be chosen larger than the
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c range of projectiles if transmission is not of
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c interest
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c
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c ed for sputtering and backscattering calculations ed is
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c not of importance, only in determination of damage
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c profiles. ed is of the order of 30 ev
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c
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c sheath a sheath potential is only used for a maxwellian
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c distribution of projectiles (e0.lt.0.)
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c
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c ef for low projectile energies (lt 1000 ev) and esb=0.
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c ef should be of the order of 0.2 ev. with increasing
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c energy ef can be increased to save computing time,
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c but not above sbe (for sputtering data)
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c
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c ca the use of ca.ne.1 is only reasonable for the
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c application of the moliere potential
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c
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c ri with the same initial random number ri the calculation
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c will be exactly reproduced if nothing has been changed
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c
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c esb this value is zero for the noble gases but esb should
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c be larger than zero if the projectile is an active
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c chemically species. esb=sbe for selfsputtering cal-
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c culations
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c
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c be this value should be taken as zero (see j.p.biersack,
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c w.eckstein appl.phys.34(1984)73)
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c
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c sbe the heat of sublimation should be used
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c
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c kk0 usually kk0=2 is used. only for very heavy particles
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c kk0 may be increased to 3 or even 4 but on the ex-
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c pense of increasing computing time
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c
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c kk0r the same applies as for kk0
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c
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c kdee1 usually kdee1=3 is used. kdee1=1,2,or 3 can only be
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c used at energies below the stopping power maximum.
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c for hydrogen kdee1=4 must be used for projectile
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c energies above 10 kev, for helium kdee1=5 must be
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c used for energies above 50 kev
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c
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c kdee2 usually kdee2=3 is used. the stopping power maximum
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c for heavy atoms is well above 100 kev, so that only
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c kdee2=1,2,and 3 is available
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c
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c
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c
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c output data
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c
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c calculated constants
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c in the case of a maxwellian distribution three values
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c are given
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c ti ion temperature
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c zarg adjustment factor for the projectile mass
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c velc adjustment factor for the sheath potential
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c
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c hlm distance above the surface (x=0.) , where an inelastic
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c energy loss can be taken into account. usually
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c hlm=0., but if inel.ne.0 then hlm=-.5*lm
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c hlmt distance above the surface (x=tt) , where an inelastic
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c energy loss can be taken into account. usually
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c hlmt=tt, but if inel.ne.0 then hlmt=tt+0.5*lm
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c su1 su=2.*pmax(1)
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c su2 su=pmax(1)*(1.kk0)
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c sur su=pmax(1)*(1.kk0r)
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c su su=max(su1,su2,sur) , distance above the front surface, where
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c collisions are taken into account
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c sut sut=tt+su , su calculated with pmax(l)
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c distance outside the backsurface, where
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c collisions are taken into account
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c xc xc=-su , starting point above the surface
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c rt rt=tt-rd , see rd
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c inel inel=0 : no electronic energy loss outside the bulk
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c inel=1 : electronic energy loss outside the bulk for a
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c distance 0.5*lm , see hlm and hlmt
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c l number of layers
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c lj number of target species
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c
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c values for each layer
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c eps0(i) reduced projectile energy
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c z2(i) mean atomic number of layer i
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c m2(i) mean atomic mass of layer i
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c arho(i) density (atoms/A**3})
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c lm(i) mean distance between collisions (A)
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c pmax(i) maximum impact parameter (A)
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c asig(i) constant for inelastic energy loss (atoms/A**2)
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c sb(i) mean surface binding energy of layer i
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c xx(i)target thickness (A) of layer i
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c n(i) number of target species in layer i
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c a1(i) screening length for projectiles
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c kor1(i) constant in the local oen-robinson inelastic energy
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c loss for projectiles
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c a(i) screening length for target atoms
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c kor(i) constant in the local oen-robinson inelastic energy
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c loss for target atoms
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c
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cc f1 constant to transfer the energy of a projectile into
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cc a reduced energy (eps)
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cc f(i,j) constant to transfer the energy of a target atom into
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cc a reduced energy (epsr)
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cc ec maximum transferable energy between projectile and
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cc target atom
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c sfe minimum of the mean surface binding energies of
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c first and last layer (l=3); for one layer (l=1)
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c sfe=sb(1). sb(l) is the mean binding energy of layer (l)
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c
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c values giving information about some loops in the calculation
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c nproj number how often the projectile loop is entered
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c kib number of backscattered projectiles which cannot overcome
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c the surface barrier (esb)
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c kit number of transmitted projectiles which cannot overcome
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c the surface barrier (esb)
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c maxa maximum number of simultaneously processed target atoms
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c in the vectorized target collision loop
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c nall number of times the target atom collision loop has to
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c be passed
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c npa number of primary knockon atoms
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c nsa number of secondary knockon atoms
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c kis number of sputtered target atoms which cannot overcome
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c the surface barrier (sbe)
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c kist number of transmission sputtered target atoms which
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c cannot overcome the surface barrier (sbe)
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c
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c
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c calculated results
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c
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c iim number of transmitted projectiles
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c eim energy of all transmitted projectiles
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c ib number of reflected projectiles
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c eb energy of all reflected projectiles
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c it number of transmitted projectiles
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c et energy of all transmitted projectiles
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c ibsp number of backsputtered target atoms
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c ebsp energy of all backsputtered target atoms
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c itsp number of transmission sputtered target atoms
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c etsp energy of all transmission sputtered target atoms
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c
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c projectiles
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c avcsum mean number of collisions
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c avcdis mean number of collisions
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c (transferred energy > displacement energy)
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c avcsms mean number of collisions
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c (transferred energy > mean surface binding energy)
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c
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c penetration of projectiles
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c
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c fix0 mean penetration depth , 1. moment
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c sex variance of the depth distribution
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c thx skewness of the depth distribution
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c fox kurtosis of the depth distribution
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c sigmax square root of the variance
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c dfix0 error of mean depth
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c dsex error of the variance
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c dthx error of the skewness
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c
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c fir0 mean lateral spread of the penetration
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c ser variance of the spread distribution
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c thr skewness of the spread distribution
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c for kurtosis of the spread distribution
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c sigmar square root of the variance
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c dfir0 error of mean spread
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c dser error of the variance
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c dthr error of the skewness
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c
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c fip0 mean pathlength
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c sep variance of the pathlength distribution
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c thp skewness of the pathlength distribution
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c fop kurtosis of the pathlength distribution
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c sigmap square root of the variance
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c dfip0 error of mean pathlength
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c dsep error of the variance
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c dthp error of the skewness
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c
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c avnli mean elastic loss
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c vanli variance of the elastic loss distribution
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c signli square root of the variance
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c dfinli error in the mean elastic loss
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c
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c avili mean electronic loss
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c vaili variance of the electronic loss distribution
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c sigili square root of the variance
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c dfiili error in the mean electronic loss
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c
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c fie0 mean nuclear energy loss
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c see variance of the nuclear energy loss distribution
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c the skewness of the nuclear energy loss distribution
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c foe kurtosis of the nuclear energy loss distribution
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c sigmae square root of the variance
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c dfie0 error of mean nuclear energy loss
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c dsee error of the variance
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c dthe error of the skewness
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c
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c fiw0 mean nuclear energy loss in weak collisions
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c sew variance
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c thw skewness
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c fow kurtosis
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c sigmaw square root of the variance
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c dfiw0 error of mean
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c dsew error of the variance
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c dthw error of the skewness
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c
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c fii0 mean electronic energy loss
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c sei variance
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c thi skewness
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c foi kurtosis
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c sigmai square root of the variance
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c dfii0 error of mean
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c dsei error of the variance
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c dthi error of the skewness
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c
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c fis0 mean nuclear energy loss in subthreshold collisions
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c ses variance
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c ths skewness
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c fos kurtosis
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c sigmas square root of the variance
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c dfis0 error of mean
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c dses error of the variance
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c dths error of the skewness
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c
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c x1sd 1.moment of the penetration depth distribution
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c x2sd 2.moment of the penetration depth distribution
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c x3sd 3.moment of the penetration depth distribution
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c x4sd 4.moment of the penetration depth distribution
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c x5sd 5.moment of the penetration depth distribution
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c x6sd 6.moment of the penetration depth distribution
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c
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c recoiles created by recoils normalized to the number of
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c projectiles (hn)
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c acsumr mean number of collisions
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c acdisr mean number of collisions
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c (transferred energy > displacement energy)
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c acsber mean number of collisions
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c (transferred energy > mean surface binding energy)
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c
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c recoiles created by recoils normalized to the number of
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c knockons (npa+nsa)
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c acsur mean number of collisions
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c acdir mean number of collisions
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c (transferred energy > displacement energy)
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c acsbr mean number of collisions
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c (transferred energy > mean surface binding energy)
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c acdr11 mean number of collisions between species 1 and 1 in
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c layer 1 (transferred energy > displacement energy)
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c acdr12 mean number of collisions between species 1 and 2 in
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c layer 1 (transferred energy > displacement energy)
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c acdr21 mean number of collisions between species 2 and 1 in
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c layer 1 (transferred energy > displacement energy)
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c acdr22 mean number of collisions between species 2 and 2 in
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c layer 1 (transferred energy > displacement energy)
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c
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c depth distributions (projectiles)
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c d1,d2 lower and upper limit of depth interval
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c 100 intervals, in steps of cw (in A)
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c irp(i) number of implanted projectiles in interval i
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c , 'particles'
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c rirp(i) implantation profile normalized to all implanted
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c projectiles (norm.distr) , 'norm.depth'
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c ipl(i) number of projectiles with pathlength in interval i
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c , 'pathlength'
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c ion(i) electronic energy loss (ev) , 'inloss'
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c dent(i) total nuclear energy loss (ev), (central collision +
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c weak collisions) , 'teloss'
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c dmgn(i) nuclear energy loss (ev), (central collision only)
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c , 'elloss'
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c elgd(i) nuclear energy loss (ev) larger than the displacement
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c energy ed (central collision only) , 'damage'
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c phon(i) nuclear energy loss smaller than the displacement
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c energy (ev), energy into phonons , 'phonon'
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c casmot(i) defect producing energy (ev) (see biersack and
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c haggmark nim 174 (1980) 257) , 'cascad'
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c icdt(i) number of displacements (collisions gt ed) , 'dpa'
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c ele(i,j) nuclear energy loss of projectile to species j
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c (central collision only)
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c eli(i,j) electronic energy loss of species j
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c eld(i,j) nuclear energy loss larger than the displacement
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c energy for projectiles to species j
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c (central collision only)
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c elp(i,j) nuclear energy loss lower than the displacement
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c energy for species j (central collision only)
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c icd(i,j) number of displacements of species j
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c
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c depth distributions (recoils)
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c ionr(i) inelastic energy loss (ev) by target atoms , 'inloss'
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c dentr(i) total nuclear energy loss (ev) , (central collision +
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c weak collisions) , 'teloss'
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c dmgnr(i) elastic energy loss (ev) by target atoms (central
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c collisions only) , 'elloss'
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c eler(i,j) nuclear energy loss of recoils to species j
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c (central collision only)
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c elir(i,j) electronic energy loss of species j
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c eldr(i,j) nuclear energy loss larger than the displacement
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c energy for species j (central collision only)
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c elpr(i,j) nuclear energy loss lower than the displacement
|
|
c energy for species j (central collision only)
|
|
c icdr(i,j) number of displacements of species j
|
|
c icdiri(i,j,k) number of displacements of species k by species j
|
|
c
|
|
c the last line gives the sum over the distributions
|
|
c
|
|
c
|
|
c backscattered projectiles
|
|
c
|
|
c rn particle reflection coefficient
|
|
c emean mean energy of backscattered projectiles
|
|
c emeanr relative mean energy of backscattered projectiles
|
|
c re energy reflection coefficient
|
|
c
|
|
c fib0 mean energy of backscattered projectiles
|
|
c seb variance
|
|
c thb skewness
|
|
c fob kurtosis
|
|
c sigmab square root of the variance
|
|
c dfib0 error of mean
|
|
c dseb error of the variance
|
|
c dthb error of the skewness
|
|
c
|
|
c fipb0 mean pathlength of backscattered projectiles
|
|
c sepb variance
|
|
c tphb skewness
|
|
c fpob kurtosis
|
|
c sigmpb square root of the variance
|
|
c dfipb0 error of mean
|
|
c dsepb error of the variance
|
|
c dthpb error of the skewness
|
|
c
|
|
c avnlb mean elastic loss
|
|
c vanlb variance of the elastic loss distribution
|
|
c signlb square root of the variance
|
|
c dfinlb error in the mean elastic loss
|
|
c
|
|
c avilb mean electronic loss
|
|
c vailb variance of the electronic loss distribution
|
|
c sigilb square root of the variance
|
|
c dfiilb error in the mean electronic loss
|
|
c
|
|
c eb1b 1.moment of the energy distr. of backsc. proj.
|
|
c eb2b 2.moment of the energy distr. of backsc. proj.
|
|
c eb3b 3.moment of the energy distr. of backsc. proj.
|
|
c eb4b 4.moment of the energy distr. of backsc. proj.
|
|
c eb5b 5.moment of the energy distr. of backsc. proj.
|
|
c eb6b 6.moment of the energy distr. of backsc. proj.
|
|
c
|
|
c eb1bl 1.logarithmic moment of the energy distr.
|
|
c eb2bl 2.logarithmic moment of the energy distr.
|
|
c eb3bl 3.logarithmic moment of the energy distr.
|
|
c eb4bl 4.logarithmic moment of the energy distr.
|
|
c eb5bl 5.logarithmic moment of the energy distr.
|
|
c eb6bl 6.logarithmic moment of the energy distr.
|
|
c
|
|
c pl1s 1.moment of the pathlength distribution
|
|
c pl2s 2.moment of the pathlength distribution
|
|
c pl3s 3.moment of the pathlength distribution
|
|
c pl4s 4.moment of the pathlength distribution
|
|
c pl5s 5.moment of the pathlength distribution
|
|
c pl6s 6.moment of the pathlength distribution
|
|
c
|
|
c
|
|
c transmitted projectiles
|
|
c
|
|
c tn particle transmission coefficient
|
|
c emeant mean energy of transmitted projectiles
|
|
c tmeanr relative mean energy of transmitted projectiles
|
|
c te energy transmission coefficient
|
|
c
|
|
c fit0 mean energy of transmitted projectiles
|
|
c set variance
|
|
c tht skewness
|
|
c fot kurtosis
|
|
c sigmat square root of the variance
|
|
c dfit0 error of mean
|
|
c dset error of the variance
|
|
c dtht error of the skewness
|
|
c
|
|
c fipt0 mean pathlength of transmitted projectiles
|
|
c sept variance
|
|
c tpht skewness
|
|
c fpot kurtosis
|
|
c sigmpt square root of the variance
|
|
c dfipt0 error of mean
|
|
c dsept error of the variance
|
|
c dthpt error of the skewness
|
|
c
|
|
c avnlt mean elastic loss
|
|
c vanlt variance of the elastic loss distribution
|
|
c signlt square root of the variance
|
|
c dfinlt error in the mean elastic loss
|
|
c
|
|
c avilt mean electronic loss
|
|
c vailt variance of the electronic loss distribution
|
|
c sigilt square root of the variance
|
|
c dfiilt error in the mean electronic loss
|
|
c
|
|
c
|
|
c backsputtered target atoms (for each species j)
|
|
c
|
|
c ispa total sputtering yield
|
|
c espa total sputtered energy
|
|
c ispal(i) sputtering yield of layer i
|
|
c espal(i) sputtered energy of layer i
|
|
c spy(j) sputtering yield of species j
|
|
c spe(j) sputtered energy of species j
|
|
c rey(j) relative mean energy of sputtered target atoms
|
|
c emsp(j) mean energy of sputtered target atoms
|
|
c
|
|
c 4 different processes for sputtering
|
|
c ispip(j) number of primary knock-on atoms, ion in
|
|
c rip(j) fraction of primary knock-on atoms, ion in
|
|
c normalized to all sputtered atoms
|
|
c ripj(j) fraction of primary knock-on
|
|
c normalized to sputtered atoms of species j
|
|
c espip(j) energy of primary knock-on atoms, ion in
|
|
c reip(j) fraction of energy of primary knock-on atoms, ion in
|
|
c normalized to energy of all sputtered atoms
|
|
c reipj(j) fraction of energy of primary knock-on atoms, ion in
|
|
c normalized to energy of sputtered atom species j
|
|
c espmip(j) mean energy of process (pka, ion in)
|
|
c ispis(j) number of secondary knock-on atoms, ion in
|
|
c ris(j) fraction of secondary knock-on atoms, ion in
|
|
c normalized to all sputtered atoms
|
|
c risj(j) fraction of secondary knock-on atoms, ion in
|
|
c normalized to sputtered atoms of species j
|
|
c espis(j) energy of secondary knock-on atoms,ion in
|
|
c reis(j) fraction of energy of secondary knock-on atoms, ion in
|
|
c normalized to energy of all sputtered atoms
|
|
c reisj(j) fraction of energy of secondary knock-on atoms, ion in
|
|
c normalized to energy of sputtered atom species j
|
|
c espmis(j) mean energy of process (ska, ion in)
|
|
c ispop(j) number of primary knock-on atoms, ion out
|
|
c rop(j) fraction of primary knock-on atoms, ion out
|
|
c normalized to all sputtered atoms
|
|
c ropj(j) fraction of primary knock-on atoms, ion out
|
|
c normalized to sputtered atoms of species j
|
|
c espop(i) energy of primary knock-on atoms, ion out
|
|
c reop(j) fraction of energy of primary knock-on atoms, ion out
|
|
c normalized to energy of all sputtered atoms
|
|
c reopj(j) fraction of energy of primary knock-on atoms, ion out
|
|
c normalized to energy of sputtered atom species j
|
|
c espmop(j) mean energy of process (pka, ion out)
|
|
c ispos(j) number of secondary knock-on atoms, ion out
|
|
c ros(j) fraction of secondary knock-on atoms, ion out
|
|
c normalized to all sputtered atoms
|
|
c rosj(j) fraction of secondary knock-on atoms, ion out
|
|
c normalized to sputtered atoms of species j
|
|
c espos(j) energy of secondary knock-on atoms, ion out
|
|
c reos(j) fraction of energy of secondary knock-on atoms, ion out
|
|
c normalized to energy of all sputtered atoms
|
|
c reosj(j) fraction of energy of secondary knock-on atoms, ion out
|
|
c normalized to energy of sputtered atom species j
|
|
c espmos(j) mean energy of process (ska, ion out)
|
|
c
|
|
c fies0 mean energy of backsputtered target atoms
|
|
c sees variance
|
|
c thes skewness
|
|
c foes kurtosis
|
|
c sigmes square root of the variance
|
|
c dfies0 error of mean
|
|
c dsees error of the variance
|
|
c dthes error of the skewness
|
|
c
|
|
c ebsp1 1.moment of the energy distribution
|
|
c ebsp2 2.moment of the energy distribution
|
|
c ebsp3 3.moment of the energy distribution
|
|
c ebsp4 4.moment of the energy distribution
|
|
c ebsp5 5.moment of the energy distribution
|
|
c ebsp6 6.moment of the energy distribution
|
|
c
|
|
c ebsp1l 1.logarithmic moment of the energy distribution
|
|
c ebsp2l 2.logarithmic moment of the energy distribution
|
|
c ebsp3l 3.logarithmic moment of the energy distribution
|
|
c ebsp4l 4.logarithmic moment of the energy distribution
|
|
c ebsp5l 5.logarithmic moment of the energy distribution
|
|
c ebsp6l 6.logarithmic moment of the energy distribution
|
|
c
|
|
c
|
|
c transmission sputtered target atoms (for each species j)
|
|
c
|
|
c ispat total sputtering yield
|
|
c espat total sputtered energy
|
|
c ispalt(i) sputtering yield of layer i
|
|
c espalt(i) sputtered energy of layer i
|
|
c spyt(j) sputtering yield of species j
|
|
c spet(j) sputtered energy of species j
|
|
c reyt(j) relative mean energy of sputtered target atoms
|
|
c emspt(j) mean energy of sputtered target atoms
|
|
c
|
|
c 4 different processes for sputtering
|
|
c ispipt(j) number of primary knock-on atoms, ion in
|
|
c ript(j) fraction of primary knock-on atoms, ion in
|
|
c normalized to all sputtered atoms
|
|
c espipt(j) energy of primary knock-on atoms, ion in
|
|
c reipt(j) fraction of energy of primary knock-on atoms, ion in
|
|
c normalized to energy of all sputtered atoms
|
|
c espmipt(j) mean energy of process (pka, ion in)
|
|
c ispist(j) number of secondary knock-on atoms, ion in
|
|
c rist(j) fraction of secondary knock-on atoms, ion in
|
|
c normalized to all sputtered atoms
|
|
c espist(j) energy of secondary knock-on atoms,ion in
|
|
c reist(j) fraction of energy of secondary knock-on atoms, ion in
|
|
c normalized to energy of all sputtered atoms
|
|
c espmist(j) mean energy of process (ska, ion in)
|
|
c ispopt(j) number of primary knock-on atoms, ion out
|
|
c ropt(j) fraction of primary knock-on atoms, ion out
|
|
c normalized to all sputtered atoms
|
|
c espopt(i) energy of primary knock-on atoms, ion out
|
|
c reopt(j) fraction of energy of primary knock-on atoms, ion out
|
|
c normalized to energy of all sputtered atoms
|
|
c espmopt(j) mean energy of process (pka, ion out)
|
|
c ispost(j) number of secondary knock-on atoms, ion out
|
|
c rost(j) fraction of secondary knock-on atoms, ion out
|
|
c normalized to all sputtered atoms
|
|
c espost(j) energy of secondary knock-on atoms, ion out
|
|
c reost(j) fraction of energy of secondary knock-on atoms, ion out
|
|
c normalized to energy of all sputtered atoms
|
|
c espmost(j) mean energy of process (ska, ion out)
|
|
c
|
|
c
|
|
c angular distributions
|
|
c
|
|
c a(i) 20 equal cosine intervals of the polar exit angle
|
|
c kadb(i) number of reflected projectiles in interval i
|
|
c rkadb(i) fraction of reflected projectiles in interval i
|
|
c kadt(i) number of transmitted projectiles in interval i
|
|
c rkadt(i) fraction of transmitted projectiles in interval i
|
|
c kads(i) number of all sputtered target atoms in interval i
|
|
c rkads(i) fraction of all sputtered target atoms in interval i
|
|
c kadsl(i,j) number of sputtered atoms from layer j in interval i
|
|
c rkadsl(i,j) fraction of sputtered atoms from layer j in interval i
|
|
c kadsj(i,j) number of sputtered species j in interval i
|
|
c rkadsj(i,j) fraction of sputtered species j in interval i
|
|
c kadst(i) number of all transmission sputtered atoms in interval i
|
|
c rkadst(i) fraction of all transm. sputtered atoms in interval i
|
|
c kdstl(i,j) number of transm. sputtered atoms from layer j in interval i
|
|
c rkdslt(i,j) fraction of transm. sputtered atoms from layer j in interval i
|
|
c kdstj(i,j) number of transm. sputtered species j in interval i
|
|
c rkdstj(i,j) fraction of transm. sputtered species j in interval i
|
|
cc kadrip(i) number of sputtered primary knock-on atoms, ion in
|
|
cc rkdrip(i) fraction of sputtered primary knock-on atoms, ion in
|
|
cc kadris(i) number of sputtered secondary knock-on atoms, ion in
|
|
cc rkdris(i) fraction of sputtered secondary knock-on atoms, ion in
|
|
cc kadrop(i) number of sputtered primary knock-on atoms, ion out
|
|
cc rkdrop(i) fraction of sputtered primary knock-on atoms, ion out
|
|
cc kadros(i) number of sputtered secondary knock-on atoms, ion out
|
|
cc rkdros(i) fraction of sputtered secondary knock-on atoms, ion out
|
|
c
|
|
c
|
|
c 2- and 3-dimensional distributions
|
|
c
|
|
c the first row and the first column give the upper limit of
|
|
c the interval
|
|
c the last row gives the sum over the columns and
|
|
c the last column gives the sum over the rows
|
|
c the matrix-output is only given , if more than 10000 particles
|
|
c are sputtered, reflected or transmitted
|
|
c
|
|
c backsputtered target atoms
|
|
c
|
|
c meas(i,j,k) number of sputtered target atoms versus energy
|
|
c (column) and polar emission angle (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval j: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c 10 target species k (2 layers)
|
|
c in the last interval (99-100 ev) all sputtered
|
|
c target atoms with energies above 100 ev are
|
|
c included
|
|
c dimension : meas(102,22,10)
|
|
c
|
|
c mease(i,j,k) number of sputtered target atoms versus energy
|
|
c (column) and polar emission angle (row)
|
|
c energy interval i: 1 ev , 100 intervals
|
|
c polar angle interval j: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c 10 target species k (2 layers)
|
|
c in the last interval (99-100 ev) all sputtered
|
|
c target atoms with energies above 100 ev are
|
|
c included
|
|
c dimension : meas(102,22,10)
|
|
c
|
|
c magsa(i,j,k) number of sputtered target atoms versus azimuthal
|
|
c (column) and polar (row) emission angles
|
|
c azimuthal angle interval i: 3 deg, 60 intervals
|
|
c polar angle interval j: 3 deg, 30 intervals
|
|
c 10 target species k (2 layers)
|
|
c dimension : magsa(62,32,10)
|
|
c
|
|
c measl(i,j,k) number of sputtered target atoms versus energy
|
|
c (column) and polar emission angle (row)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c 10 target species k (2 layers)
|
|
c the last column gives the number of sputtered
|
|
c atoms per ev, solid angle, and projectile
|
|
c dimension : measl(75,21,10)
|
|
c
|
|
c easl(i,j) logarithmic energy distribution (intensity per
|
|
c logarithmic energy interval)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c 10 target species j (2 layers)
|
|
c dimension : easl(75,10)
|
|
c
|
|
c meags(i,j,k,l) number of sputtered target atoms versus energy
|
|
c (column), polar (row) and azimuthal (matrix)
|
|
c emission angles
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval k: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c azimuthal angle interval j: 15 deg, 12 matrices
|
|
c 10 target species l (2 layers)
|
|
c these matrices are not calculated, if the angle
|
|
c of incidence, alpha, is smaller than 1 deg
|
|
c dimension : meags(102,12,22,10)
|
|
c
|
|
c mags(i,j,k) number of sputtered target atoms versus azimu-
|
|
c thal (column) and polar (row) emission angles
|
|
c dimension : mags(62,22,10)
|
|
c
|
|
c transmission sputtered target atoms
|
|
c
|
|
c meast(i,j,k) number of sputtered target atoms versus energy
|
|
c (column) and polar emission angle (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval j: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c 10 target species k (2 layers)
|
|
c in the last interval (99-100 ev) all sputtered
|
|
c target atoms with energies above 100 ev are
|
|
c included
|
|
c dimension : meast(102,22,10)
|
|
c
|
|
c meastl(i,j,k) number of sputtered target atoms versus energy
|
|
c (column) and polar emission angle (row)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c 10 target species k (2 layers)
|
|
c the last column gives the number of sputtered
|
|
c atoms per ev, solid angle, and projectile
|
|
c dimension : meastl(75,21,10)
|
|
c
|
|
c eastl(i,j) logarithmic energy distribution (intensity per
|
|
c logarithmic energy interval)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c 10 target species j (2 layers)
|
|
c dimension : eastl(75,10)
|
|
c
|
|
c magst(i,j,k) number of sputtered target atoms versus azimu-
|
|
c thal (column) and polar (row) emission angles
|
|
c dimension : magst(62,22,10)
|
|
c
|
|
c backscattered projectiles
|
|
c
|
|
c meab(i,j) number of backscattered projectiles versus
|
|
c energy (column) and polar emission angle (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval j: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c dimension : meab(102,22)
|
|
c
|
|
c meabl(i,k) number of backscattered projectiles versus
|
|
c energy (column) and polar emission angle (row)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : meabl(75,21)
|
|
c
|
|
c meagb(i,j,k) number of backscattered projectiles versus
|
|
c energy (column), polar (row) and azimuthal
|
|
c (matrix) emission angles
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval k: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c azimuthal angle interval j: 15 deg, 12 matrices
|
|
c 10 target species l (2 layers)
|
|
c these matrices are not calculated, if the angle
|
|
c of incidence, alpha, is smaller than 1 deg
|
|
c dimension : meagb(102,12,22)
|
|
c
|
|
c magb(i,j) number of backscattered projectiles versus
|
|
c azimuthal (column) and polar (row) emission
|
|
c angles
|
|
c azimuthal angle interval i: 3 deg, 60 intervals
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : magb(62,22)
|
|
c
|
|
c ema(i,j) backscattered energy versus azimuthal (column)
|
|
c and polar (row) emission angles
|
|
c azimuthal angle interval i: 3 deg, 60 intervals
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : ema(62,22)
|
|
c
|
|
c mepb(i,j) number of backscattered projectiles versus
|
|
c energy (column) and pathlength (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c pathlength interval j: cw , 100 intervals
|
|
c dimension : mepb(102,102)
|
|
c
|
|
c transmitted projectiles
|
|
c
|
|
c meat(i,j) number of transmitted projectiles versus
|
|
c energy (column) and polar emission angle (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval j: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c dimension : meat(102,22)
|
|
c
|
|
c meatl(i,k) number of transmitted projectiles versus
|
|
c energy (column) and polar emission angle (row)
|
|
c energy interval i: a decade is divided into 12
|
|
c equal logarithmic intervals from 0.1 to 10**5 ev
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : meatl(75,21)
|
|
c
|
|
c meatb(i,j,k) number of transmitted projectiles versus
|
|
c energy (column), polar (row) and azimuthal
|
|
c (matrix) emission angles
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c polar angle interval k: cosine interval of 0.05,
|
|
c 20 intervals
|
|
c azimuthal angle interval j: 15 deg, 12 matrices
|
|
c 10 target species l (2 layers)
|
|
c these matrices are not calculated, if the angle
|
|
c of incidence, alpha, is smaller than 1 deg
|
|
c dimension : meatb(102,12,22)
|
|
c
|
|
c magt(i,j) number of transmitted projectiles versus
|
|
c azimuthal (column) and polar (row) emission
|
|
c angles
|
|
c azimuthal angle interval i: 3 deg, 60 intervals
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : magt(62,22)
|
|
c
|
|
c emat(i,j) transmitted energy versus azimuthal (column)
|
|
c and polar (row) emission angles
|
|
c azimuthal angle interval i: 3 deg, 60 intervals
|
|
c polar angle interval j: cosine intervals of 0.05,
|
|
c 20 intervals
|
|
c dimension : emat(62,22)
|
|
c
|
|
c mept(i,j) number of transmitted projectiles versus
|
|
c energy (column) and pathlength (row)
|
|
c energy interval i: 1% of the projectile energy e0,
|
|
c 100 intervals
|
|
c pathlength interval j: cw , 100 intervals
|
|
c dimension : mept(102,102)
|
|
c
|
|
c
|
|
c remarks
|
|
c the matrix output is in most cases only reasonable for a large
|
|
c number of histories (nh.gt.10**5)
|
|
c
|
|
c
|
|
c data on disc (fort.17) , unformatted
|
|
c
|
|
c z1,m1,e0,alpha,ef,esb,sheath
|
|
c ,nh,ri,x0,rd,cw,ca,kk0,kk0r,kdee1,kdee2
|
|
c (dx(i),i=1,3),(rho(i),i=1,3),(ck(i),i=1,3)
|
|
c ,((zt(i,j),j=1,5),i=1,3),((mt(i,j),j=1,5),i=1,3)
|
|
c ,((co(i,j),j=1,5),i=1,3),((sbe(i,j),j=1,5),i=1,3)
|
|
c ,((ed(i,j),j=1,5),i=1,3),((be(i,j),j=1,5),i=1,3)
|
|
c ti,zarg,velc
|
|
c ,hlm,hlmt,su,sut,xc,rt,inel,l,lj
|
|
c ,nproj,kib,kit,maxa,nall,npa,nsa,kis,kist
|
|
c ,iim,eim,ib,eb,it,et,ispa,espa,ispat,espat
|
|
c ,fix0,sex,thx,fox,sigmax,dfix0,dsex,dthx
|
|
c ,fir0,ser,thr,for,sigmar,dfir0,dser,dthr
|
|
c ,fip0,sep,thp,fop,sigmap,dfip0,dsep,dthp
|
|
c ,avnli,vanli,signli,dfinli
|
|
c ,avili,vaili,sigili,dfiili
|
|
c avcsum,avcdis
|
|
c ,fie0,see,the,foe,sigmae,dfie0,dsee,dthe
|
|
c ,fiw0,sew,thw,fow,sigmaw,dfiw0,dsew,dthw
|
|
c ,fii0,sei,thi,foi,sigmai,dfii0,dsei,dthi
|
|
c ,fis0,ses,ths,fos,sigmas,dfis0,dses,dths
|
|
c ,iirp,trirp,iipl,tion,tdmgn,tcasmo,tphon,tdent
|
|
c rn,re,emeanr,emean,tn,te,tmeanr,emeant
|
|
c ,fib0,seb,thb,fob,sigmab,dfib0,dseb,dthb
|
|
c ,fipb0,sepb,thpb,fopb,sigmpb,dfipb0,dsepb,dthpb
|
|
c ,avnlb,vanlb,signlb,dfinlb
|
|
c ,avilb,vailb,sigilb,dfiilb
|
|
c fit0,set,tht,fot,sigmat,dfit0,dset,dtht
|
|
c ,fipt0,sept,thpt,fopt,sigmpt,dfipt0,dsept,dthpt
|
|
c ,avnlt,vanlt,signlt,dfinlt
|
|
c ,avilt,vailt,sigilt,dfiilt
|
|
c (irp(i),i=0,100),(rirp(i),i=0,100)
|
|
c ,(ipl(i),i=1,100),(ion(i),i=1,100),(dmgn(i),i=1,100)
|
|
c ,(casmot(i),i=1,100),(phon(i),i=1,100),(dent(i),i=1,100)
|
|
c (fiesb(j),j=1,10),(seesb(j),j=1,10),(thesb(j),j=1,10)
|
|
c ,(foesb(j),j=1,10),(sgmesb(j),j=1,10)
|
|
c ,(dfiesb(j),j=1,10),(dseesb(j),j=1,10)
|
|
c ,(dthesb(j),j=1,10)
|
|
c ((ele(i,j),j=1,15),i=1,100),((eli(i,j),j=1,15),i=1,100)
|
|
c ,((elp(i,j),j=1,15),i=1,100)
|
|
c ,(elet(j),j=1,15),(elit(j),j=1,15),(elpt(j),j=1,15)
|
|
c (ai(i),i=1,20),(kadb(i),i=1,20),(kadt(i),i=1,20)
|
|
c ,(rkadb(i),i=1,20),(rkadt(i),i=1,20)
|
|
c (kads(i),i=1,20),(kadst(i),i=1,20)
|
|
c ,(rkads(i),i=1,20),(rkadst(i),i=1,20)
|
|
c ((kadrip(i,j),j=1,10),i=1,20)
|
|
c ,((kadris(i,j),j=1,10),i=1,20)
|
|
c ,((kadrop(i,j),j=1,10),i=1,20)
|
|
c ,((kadros(i,j),j=1,10),i=1,20)
|
|
c ((KAdsj(i,j),j=1,10),i=1,20)
|
|
c ,((rkadsj(i,j),j=1,10),i=1,20)
|
|
c ,((kadsl(i,j),j=1,2),i=1,20)
|
|
c ,((kkadsl(i,j),j=1,2),i=1,20)
|
|
c ((kdstj(i,j),j=1,10),i=1,20)
|
|
c ,((rkdstj(i,j),j=1,10),i=1,20)
|
|
c ,((kdstl(i,j),j=1,2),i=1,20)
|
|
c ,((rkdstl(i,j),j=1,2),i=1,20)
|
|
c (ibsp(i),i=1,15),(ebsp(i),i=1,15)
|
|
c ,(spy(i),i=1,15),(spe(i),i=1,15)
|
|
c ,(rey(i),i=1,15),(emsp(i),i=1,15)
|
|
c ,(ispal(i),i=1,3),(espal(i),i=1,3)
|
|
c (ispip(i),i=1,15),(ispis(i),i=1,15)
|
|
c ,(ispop(i),i=1,15),(ispos(i),i=1,15)
|
|
c ,(espip(i),i=1,15),(espis(i),i=1,15)
|
|
c ,(espop(i),i=1,15),(espos(i),i=1,15)
|
|
c ,(rip(i),i=1,15),(ris(i),i=1,15)
|
|
c ,(rop(i),i=1,15),(ros(i),i=1,15)
|
|
c ,(reip(i),i=1,15),(reis(i),i=1,15)
|
|
c ,(reop(i),i=1,15),(reos(i),i=1,15)
|
|
c (itsp(i),i=1,15),(etsp(i),i=1,15)
|
|
c ,(spyt(i),i=1,15),(spet(i),i=1,15)
|
|
c ,(reyt(i),i=1,15),(emspt(i),i=1,15)
|
|
c ,(ispalt(i),i=1,3),(espalt(i),i=1,3)
|
|
c (ispipt(i),i=1,15),(ispist(i),i=1,15)
|
|
c ,(ispopt(i),i=1,15),(ispost(i),i=1,15)
|
|
c ,(espipt(i),i=1,15),(espist(i),i=1,15)
|
|
c ,(espopt(i),i=1,15),(espost(i),i=1,15)
|
|
c ,(ript(i),i=1,15),(rist(i),i=1,15)
|
|
c ,(ropt(i),i=1,15),(rost(i),i=1,15)
|
|
c ,(reipt(i),i=1,15),(reist(i),i=1,15)
|
|
c ,(reopt(i),i=1,15),(reost(i),i=1,15)
|
|
c ((meab(i,j),j=1,22),i=1,102)
|
|
c ,((magb(i,j),j=1,22),i=1,62)
|
|
c ,(((meagb(i,j,k),k=1,22),j=1,36),i=1,102)
|
|
c ,((ema(i,j),j=1,22),i=1,62),(elog(i),i=1,75)
|
|
c ,(eabl(i),i=1,75),((meabl(i,j),j=1,21),i=1,75)
|
|
c ,((mepb(i,j),j=1,102),i=1,102)
|
|
c ((meat(i,j),j=1,22),i=1,102)
|
|
c ,((magt(i,j),j=1,22),i=1,62)
|
|
c ,(((meagt(i,j,k),k=1,22),j=1,36),i=1,102)
|
|
c ,((emat(i,j),j=1,22),i=1,62)
|
|
c ,(eatl(i),i=1,75),((meatl(i,j),j=1,21),i=1,75)
|
|
c ,((mept(i,j),j=1,102),i=1,102)
|
|
c (((meas(i,j,k),k=1,10),j=1,22),i=1,102)
|
|
c ,(((mags(i,j,k),k=1,10),j=1,22),i=1,62)
|
|
c ,((easl(i,j),j=1,10),i=1,75)
|
|
c ,(((measl(i,j,k),k=1,10),j=1,21),i=1,75)
|
|
c (((meast(i,j,k),k=1,10),j=1,22),i=1,102)
|
|
c ,(((magst(i,j,k),k=1,10),j=1,22),i=1,62)
|
|
c ,((eastl(i,j),j=1,10),i=1,75)
|
|
c ,(((meastl(i,j,k),k=1,10),j=1,21),i=1,75)
|
|
c ((((meags(i,j,k,mn),mn=1,10),k=1,22),j=1,12),i=1,102)
|
|
c ,(((magsa(i,j,k),k=1,10),j=1,32),i=1,62)
|
|
CC ,((((MEAGST(I,J,K,L),L=1,10),K=1,22),J=1,36),I=1,102)
|
|
c ((eld(i,j),i=1,100),j=1,15)
|
|
c xsum,x2sum,x3sum,x4sum,x5sum,x6sum
|
|
c eb,eb2sum,eb3sum,eb4sum,eb5sum,eb6sum
|
|
c ,eb1sul,eb2sul,eb3sul,eb4sul,eb5sul,eb6sul
|
|
c (ebsp(j),j=1,15),(spe2s(j),j=1,15),(spe3s(j),j=1,15)
|
|
c ,(spe4s(j),j=1,15),(spe5s(j),j=1,15),(spe6s(j),j=1,15)
|
|
c (spe1sl(j),j=1,15),(spe2sl(j),j=1,15),(spe3sl(j),j=1,15)
|
|
c ,(spe4sl(j),j=1,15),(spe5sl(j),j=1,15)
|
|
c ,(spe6sl(j),j=1,15)
|
|
c ((icd(i,j),j=1,15),i=1,100),((icdr(i,j),j=1,15),i=1,100)
|
|
c (((icdiri(i,j,k),k=1,15),j=1,15),i=1,100)
|
|
c ,((icdirn(i,j),j=1,15),i=1,100)
|
|
c exi1s,exi2s,exi3s,exi4s,exi5s,exi6s
|
|
c ,coss1s,coss2s,coss3s,coss4s,coss5s,coss6s
|
|
c ibl,(ibsp(i),i=1,15)
|
|
|