54.42,0.0,1,0.0,-1,1,0 ENERGY, DE, NZNUC, ZASYM, NZE, NINC, LINC
0,3,1,0,2,0,3,0,4,0,5,0,6,0 LABOT, LATOP, (NABOT(l), NATOP(l),l=LABOT, LATOP)
0,2,2,10,2,10 NTST, NUNIT, LNABTOP, NNBTOP, LTTOP, NCSTATES
0,20,0,1,1 LSTART, LSTOP, IPAR, NENT, IBORN
4,1,10,0.5,10,0.5,10,0.5,10,10.5 NPTOP,LPTOP,NPS(L),ALPHA(L)...
0,0,-1,30,2.0 NPOT, LPOT for D.W., LDW, NPSBND, ALBND
1E-10,1E-14,1e-14,0.0,1.0 FORMCUT, REGCUT, EXPCUT, GAMMA, RHO
1,-1,1,0,0.5 IFIRST, ISECOND, NOLD, ITAIL, THETA
0,2,2,-999.0 NE2E, LSLOW, LFAST, SLOWE(n), n = 1, ne2e
-1,20.0,200.0,8,f,f,f NQ, QCUT, RMAX, NDBL, FAST
3,0,40,1.5,40,6.0,4,6.0,20,0.2 J <= 0 to 3: 40 pts 0.0 to 1.5; 40 pts to 6.0, 4 pts 6.0 to inf ; 20 pts around on-shell with 0.2 width
29,0,20,0.7,20,3.0,6,8.0,20,0.1 J <= 29
This is the same input file for both CCC and CCO. Here are a few comments
for some of the parameters.
ENERGY is the projectile energy in eV
DE is zero
NZNUC is the Z of the nucleus
ZASYM is the asymptotic charge of the atom/ion
NZE is the charge on the projectile, -1 for electrons and 1 for positrons
NINC is the principal quantum number of the incident target state
LINC is the angular momentum quantum number of the incident target state
LABOT is the starting value of orbital angular momentum of the target states
LATOP is the ending value of orbital angular momentum of the target states
NABOT(l) is the starting principle quantum number for a particular l
NATOP(l) if positive, is the ending principle quantum number for the
corresponding l. If negative, then only open channels will be used.
If zero then all of the states generated with NPS below will be used
NTST is 0 for both discrete and continuum states in the optical potential
is 1 for only discrete states and 2 for only continuum states
NUNIT is 1 for the totalcs file having cross sections in a0**2,
is 2 for the totalcs file having cross sections in pi a0**2, and
is 3 for the totalcs file having cross sections in cm**2
is 0 for this file not being created
NNBTOP principle quantum number of eigenstates used to form the overlap
with the pseudostates. Also used for CCO when NTST = 0 or 1
LTTOP max value of l in the optical potential
NCSTATES is the number of integration points in the continuum (CCO only)
LSTART Starting value of LG = J, the total orbital angular momentum
LSTOP Last value of LG = J, the total orbital angular momentum
IPAR 0 for natural parity and 1 for unnatural parity
NENT Number of incident channels for which the data is to be calculated
NPTOP is the principle quantum number of P space state with optical potential
LPTOP is the corresponding l
NPS(l) The size of the Laguerre basis is NPS(l) - l
ALPHA(l) is the corresponding exponential fall-off factor
N, L used to define the distorting potential. Set to 0, 0 for plane waves
IFIRST is 0 for direct only and 1 with exchange
ISECOND is < 0 for no optical potentials
NOLD 0 for exact states, 1 for pseudostates
THETA 0.0 for old form of equations, > 0.0 (typically 1.0) for new form
ALPHA(l) lambda = alpha * 2.0, is the fall off of laguerre basis
ITAIL 1 for tail integral, 0 for none
QCUT largest value of k such that sin(k*r) can be integrated reliably
RMAX largest value of r
10,0,24,1.0,20,2.0,4,4.0,10,0.1 LSW, NINT, K grid parameters
K grid parameters as above imply 10 points within 0.1 of the on-shell point,
extra 24 points spread between 0.0 and 1.0, 20 pts between 1.0 and 2.0 and 4 points after 2.0 with
a transformation that assumes fall off as 1/k**4.0. This is until
total orbital angular momentum J=LG = LSW = 10.
LSW is used to indicate at what value of LG a new set of kgrid
parameters will be used. Last value of LSW must be > LSTOP.