The input file used here is tests/Arn2_test.inp in the Hibridon directory tree
Initiate execution of your code
% hib_arn2_251
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HIBRIDON SCATTERING CODE V 4.0 03/18/96 18:34:31 EST
AUTHORS: M. ALEXANDER, D. MANOLOPOULOS, H.-J. WERNER, B. FOLLMEG
CONTRIBUTORS: D. LEMOINE, P. VOHRALIK, G. COREY, R. JOHNSON, T. ORLIKOWSKI
A. BERNING, A. DEGLI-ESPOSTI, C. RIST, P. DAGDIGIAN, B. POUILLY
G. VAN DER SANDEN, M. YANG
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Hibridon> inp=arn2_test.inp
Hibridon> show
*** Parameters:
JTOT1 = 20 JTOT2 = 20 JTOTD = 5 JLPAR = 1
NERG = 1 NUMAX = 0 NUMIN = 0 NUD = 1
LSCREEN= 48 IPRINT = 0
FSTFAC = 15.00 RINCR = 3.000 RCUT = 30.00 RENDAI = 25.00
RENDLD = 8.000 RSTART = 5.600 SPAC = .1500 TOLAI = 1.150
XMU = 16.47
NOUT: 4; JOUT: 0 2 4 6
INDOUT: 0
*** 1-SIGMA system parameters:
NTERM = 1 VMIN = 0 VMAX = 0 JMIN = 0
JMAX = 4
BROT = 2.010 DROT = 0.0000E+00 HROT = 0.0000E+00 EVIB = 0.0000E+00
LAMMIN: 2
LAMMAX: 2
MPROJ: 0
*** Flags:
AIRYFL= T BASTST= F BATCH = F CHLIST= T CSFLAG= F FLAGHF= F
FLAGSU= F IHOMO = T IPOS = F LOGDFL= T NOPRIN= F NUCROS= F
PHOTOF= F PRAIRY= F PRLOGD= T PRPART= F PRSMAT= T PRT2 = T
PRXSEC= F READPT= F RSFLAG= F T2TEST= F TWOMOL= F WAVEFL= F
WRPART= F WRSMAT= F WRXSEC= F
** Maximum Channels: 251; Anisotropic Terms: 80
** Energies: 500.000000
** Label: N2-Ar CC PATTENGILL POTENTIAL
** Pot name: PATTENGILL-LABUDDE-BERNSTEIN AR-N2
** Input File: Arn2_test.inp
** Output file: Outpt
** Jobname: Job
Here we will determine the classical turning point
Hibridon> turn
Turning point for isotropic potential at R = 5.97 bohr
Hibridon> energy=300
Hibridon> turn
Turning point for isotropic potential at R = 6.12 bohr
Hibridon> energy=1000
Hibridon> turn
Turning point for isotropic potential at R = 5.75 bohr
Hibridon>
as might have been expected, at higher energy, the
classical turning point occurs at smaller R
we can also estimate the minimum of the isotropic part of the potential
Hibridon> minpot
Minimum of isotropic potential at r = 7.41 bohr
Hibridon> quit
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