He + H2+ J-S potential ering using the J-S potential
 Channel A: He + HH+             B: H + HeH+             C: H + HeH+
 Exact coupled-channel results
HeH2+            PES

$PotentialNames
 PES_Name='HeH2+            PES     '
$end

$Atoms  
   AtomicSymbol= 'He','H','H'
   MassNumber=    4,  1,  1
$end

$PlotOpt
   PlotVee=.False.  
$end

$momentum  
  jtot=  0, 
  parity=  0, 
  nsymc=  T  F  F, 
  jeven=  T, 
  jref=  0,
  megacoup=  0, 
  megamax=  0
$end

$SectorDef
   RhoStart        =  1.5d0
   RhoStartABM_APH =  1.5d0
   RhoStartDelves  = 15.0d0
   RStartJacobi    = 15.0d0
   NSectors        = 308
   JacobiProp      = .False.
   DVRBasis        = .True.
   FEMBasis        = .False.
   PDAFBasis       = .False.
   CallBound3D     = .False.
$end

$regins
   start=1.5d0,
   switchToVIVS=16d0,
   finish=15d0,
   endaph=15d0,
   enddelve=15d0
$end

$pot3
  pesname='HeH2+            PES'
$end

$intchanl
  integrat=  T  T  T
$end

$store
  irdindep=  F, iwrindep=  T
$end

$chint
  integrat=  T  T  T
$end

$plotopt
  PlotVee=.False.
$end

$setpot
  vzero=  0.
$end

$quant
    minvib(1)=0,0,0,maxvib(1)=7,2,2,
    jmin(0,1)=8*0,jmax(0,1)=24,22,20,16,14,12,8,2,
    jmin(0,2)=8*0,jmax(0,2)=14,10,6,
    jmin(0,3)=8*0,jmax(0,3)=14,10,6,
$end

$gaussx
    noscil(1)=20,20,20,
    nglegn(1)=31,31,31,
    nhermt(1)=41,41,41,
    rx(1)=1.15d0,1.15d0,1.15d0,
    re(1)=1.98800d0,1.46300d0,1.46300d0,
    ralpha(1)=0.95d0,0.95d0,0.95d0,
    npow(1)=10,10,10,
    weau=1.0578443589858D-02, 1.4711677564146D-02, 1.4711677564146D-02
$end

$rhovalue
  rhoval= 11.854585599600
$end

$aphinp
   naph=180,lambda(1)=180*0
$end

$distance
  start=    1.5000000000000, endaph=    11.854585599600d0, enddelve=
     11.854585599600d0, switch=    16.000000000000, finish=   11.854585599600d0
$end

$potzero
   vzero=0.d0
$end

$storage
  irdindep=.false., iwrindep=.true.
$end

$quantum
  minvib=  0  0  0
  maxvib= 15  6  6
  jmin(  0,  1,  0)=   0
  jmax(  0,  1)=  16
  jmin(  1,  1,  0)=   0
  jmax(  1,  1)=  16
  jmin(  2,  1,  0)=   0
  jmax(  2,  1)=  16
  jmin(  3,  1,  0)=   0
  jmax(  3,  1)=  16
  jmin(  4,  1,  0)=   0
  jmax(  4,  1)=  16
  jmin(  5,  1,  0)=   0
  jmax(  5,  1)=  16
  jmin(  6,  1,  0)=   0
  jmax(  6,  1)=  16
  jmin(  7,  1,  0)=   0
  jmax(  7,  1)=  16
  jmin(  8,  1,  0)=   0
  jmax(  8,  1)=  16
  jmin(  9,  1,  0)=   0
  jmax(  9,  1)=  16
  jmin( 10,  1,  0)=   0
  jmax( 10,  1)=  16
  jmin( 11,  1,  0)=   0
  jmax( 11,  1)=  16
  jmin( 12,  1,  0)=   0
  jmax( 12,  1)=  16
  jmin( 13,  1,  0)=   0
  jmax( 13,  1)=  16
  jmin( 14,  1,  0)=   0
  jmax( 14,  1)=  16
  jmin( 15,  1,  0)=   0
  jmax( 15,  1)=  16
  jmin(  0,  2,  0)=   0
  jmax(  0,  2)=  12
  jmin(  1,  2,  0)=   0
  jmax(  1,  2)=  12
  jmin(  2,  2,  0)=   0
  jmax(  2,  2)=  12
  jmin(  3,  2,  0)=   0
  jmax(  3,  2)=  12
  jmin(  4,  2,  0)=   0
  jmax(  4,  2)=  12
  jmin(  5,  2,  0)=   0
  jmax(  5,  2)=  12
  jmin(  6,  2,  0)=   0
  jmax(  6,  2)=  12
  jmin(  0,  3,  0)=   0
  jmax(  0,  3)=  12
  jmin(  1,  3,  0)=   0
  jmax(  1,  3)=  12
  jmin(  2,  3,  0)=   0
  jmax(  2,  3)=  12
  jmin(  3,  3,  0)=   0
  jmax(  3,  3)=  12
  jmin(  4,  3,  0)=   0
  jmax(  4,  3)=  12
  jmin(  5,  3,  0)=   0
  jmax(  5,  3)=  12
  jmin(  6,  3,  0)=   0
  jmax(  6,  3)=  12
$end 

$gauss  rx=    1.5900000000000    1.2600000000000    1.2600000000000, re=
     1.9880000000000    1.4630000000000    1.4630000000000, noscil=  15  6  6
 , nhermt=  60  60  60, npow=  0, zeta=    1.0000000000000    1.0000000000000
     1.0000000000000, delta=    1.0000000000000D-01   0.30000000000000
    0.30000000000000, nlegndre=  16  12  12, nglegn=  50  46  46, weau=
     1.0578443589858D-02    1.4711677564146D-02    1.4711677564146D-02, wexeau=
     3.0162939468864D-04    7.1857963499011D-04    7.1857963499011D-04, ralpha=
    0.95000000000000   0.95000000000000   0.95000000000000, balpha=
     1.0000000000000    1.0000000000000    1.0000000000000, calpha=
    0.66000000000000   0.72000000000000   0.72000000000000, dalpha=  0.  0.  0.
 , anharm=   0.48000000000000   0.86000000000000   0.86000000000000, intwt=  2
   2  2, old_way=  F
$end

$convrg  eigmin=    1.0000000000000D-06, ovrerr=    1.0000000000000D-04
 , ngood=  180, nfreq=  180, nave1=  1, nave2=  150
$end

$mass  amass=    4.0026032000000, bmass=    1.0078250300000, cmass=
     1.0078250300000
$end


$approx  
  censud=  F
$end

$options  scheme=  1, cstest=  F, lsfunc=  T, lmatelm=  T, loverlap=  T
 , lsample=  F, cray=  F, lmatch=  F, lplot=  F, lenlvls=  F, lmesher=  T
 , laph3d=  F, sfuntype='ABM'
$end

$qcasep
  qcase=  T, qswitch=    4.0000000000000
$end

$qdivp  nthdiv=  2, nqth=  30  40  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
   0  0  0  0, thdiv=  0.   0.80000000000000    1.5707963267949  0.  0.  0.  0.
   0.  0.  0.  0.  0.  0.  0.  0.  0.  0.  0.  0.  0.  0., nchdiv=  5, nqch=
   30  30  30  30  30  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0, chdiv=
    -1.5707963267949  -0.89000000000000  -0.25000000000000   0.25000000000000
    0.89000000000000    1.5707963267949  0.  0.  0.  0.  0.  0.  0.  0.  0.  0.
   0.  0.  0.  0.  0.
$end

$sfundist  rhomin=    1.5000000000000, deltarho1=  0., deltarho2=
     7.5039401265169D-03, nrho=  309, rhomax=    15.000000000000
$end

$debug
   option='selected'
   iprtall=  3
   nsubs=  100
   subs(  1)='adini  ',iprt(  1)=  0
   subs(  2)='adress ',iprt(  2)=  0
   subs(  3)='angle  ',iprt(  3)=  1
   subs(  4)='aph3d  ',iprt(  4)=  0
   subs(  5)='aphchk ',iprt(  5)=  0
   subs(  6)='aphdel ',iprt(  6)=  0
   subs(  7)='aphdelbf',iprt(  7)= 0
   subs(  8)='aphget ',iprt(  8)=  0
   subs(  9)='aphmat ',iprt(  9)=  0
   subs( 10)='aphprop',iprt( 10)=  0
   subs( 11)='asympt ',iprt( 11)=  0
   subs( 12)='basis  ',iprt( 12)=  1
   subs( 13)='basisb ',iprt( 13)=  0
   subs( 14)='basisck',iprt( 14)=  0
   subs( 15)='calcpot',iprt( 15)=  0
   subs( 16)='coneqn ',iprt( 16)=  0
   subs( 17)='corgen ',iprt( 17)=  0
   subs( 18)='delchk ',iprt( 18)=  0
   subs( 19)='delprop',iprt( 19)=  0
   subs( 20)='delvsf ',iprt( 20)=  0
   subs( 21)='diagbasb',iprt( 21)= 0
   subs( 22)='djprojec',iprt( 22)= 0
   subs( 23)='enlvls ',iprt( 23)=  0
   subs( 24)='etam   ',iprt( 24)=  0
   subs( 25)='figure ',iprt( 25)=  0
   subs( 26)='harmonic',iprt( 26)= 0
   subs( 27)='harmonid',iprt( 27)= 0
   subs( 28)='hermite',iprt( 28)=  0
   subs( 29)='hermited',iprt( 29)= 0
   subs( 30)='hollchar',iprt( 30)= 0
   subs( 31)='hybrid ',iprt( 31)=  0
   subs( 32)='input  ',iprt( 32)=  0
   subs( 33)='inputx ',iprt( 33)=  0
   subs( 34)='intbas ',iprt( 34)=  0
   subs( 35)='intfbr ',iprt( 35)=  0
   subs( 36)='jacobi ',iprt( 36)=  0
   subs( 37)='jacprop',iprt( 37)=  0
   subs( 38)='kbes   ',iprt( 38)=  0
   subs( 39)='kinchi ',iprt( 39)=  0
   subs( 40)='kintheta',iprt( 40)= 0
   subs( 41)='kmatopen',iprt( 41)= 0
   subs( 42)='kmatrx ',iprt( 42)=  0
   subs( 43)='labelit',iprt( 43)=  0
   subs( 44)='legendre',iprt( 44)= 0
   subs( 45)='loadu  ',iprt( 45)=  0
   subs( 46)='lorder ',iprt( 46)=  0
   subs( 47)='main   ',iprt( 47)=  0
   subs( 48)='mat    ',iprt( 48)=  0
   subs( 49)='matbas ',iprt( 49)=  0
   subs( 50)='matelmb',iprt( 50)=  0
   subs( 51)='mem_mat',iprt( 51)=  0
   subs( 52)='mem_mshe',iprt( 52)= 0
   subs( 53)='mem_ovr',iprt( 53)=  0
   subs( 54)='mem_pict',iprt( 54)= 0
   subs( 55)='mem_quad',iprt( 55)= 0
   subs( 56)='mem_rmsp',iprt( 56)= 0
   subs( 57)='mem_sfun',iprt( 57)= 0
   subs( 58)='memory ',iprt( 58)=  0
   subs( 59)='memstore',iprt( 59)= 0
   subs( 60)='msher  ',iprt( 60)=  0
   subs( 61)='nwrite ',iprt( 61)=  0
   subs( 62)='overlap',iprt( 62)=  0
   subs( 63)='ovlaps ',iprt( 63)=  0
   subs( 64)='ovr    ',iprt( 64)=  0
   subs( 65)='ovrbas ',iprt( 65)=  1
   subs( 66)='ovrfem ',iprt( 66)=  0
   subs( 67)='pictre ',iprt( 67)=  0
   subs( 68)='pot_read',iprt( 68)= 0
   subs( 69)='potelmnt',iprt( 69)= 0
   subs( 70)='potmat ',iprt( 70)=  0
   subs( 71)='potth  ',iprt( 71)=  0
   subs( 72)='potva  ',iprt( 72)=  0
   subs( 73)='potvb  ',iprt( 73)=  0
   subs( 74)='potvc  ',iprt( 74)=  0
   subs( 75)='primitiv',iprt( 75)= 0
   subs( 76)='qlevel ',iprt( 76)=  1
   subs( 77)='readabf',iprt( 77)=  0
   subs( 78)='readbas',iprt( 78)=  0
   subs( 79)='readfem',iprt( 79)=  1
   subs( 80)='readin ',iprt( 80)=  0
   subs( 81)='recon  ',iprt( 81)=  0
   subs( 82)='rmsphi ',iprt( 82)=  0
   subs( 83)='rsurf  ',iprt( 83)=  0
   subs( 84)='rtrans ',iprt( 84)=  0
   subs( 85)='scheck ',iprt( 85)=  0
   subs( 86)='sector ',iprt( 86)=  0
   subs( 87)='setbasis',iprt( 87)= 1
   subs( 88)='setbassb',iprt( 88)= 0
   subs( 89)='sfunbas',iprt( 89)=  0
   subs( 90)='sfunbasb',iprt( 90)= 0
   subs( 91)='sfunc  ',iprt( 91)=  0
   subs( 92)='sspace ',iprt( 92)=  0
   subs( 93)='startv ',iprt( 93)=  0
   subs( 94)='tdfe   ',iprt( 94)=  0
   subs( 95)='trnsfm ',iprt( 95)=  0
   subs( 96)='upsiln ',iprt( 96)=  0
   subs( 97)='vibfun ',iprt( 97)=  0
   subs( 98)='vivs   ',iprt( 98)=  0
   subs( 99)='wavder ',iprt( 99)=  0
   subs(100)='wrmod  ',iprt(100)=  0
$end

$energy  efirst=    3.5095300000000D-02, elast=    4.7773700000000D-02
 , deltaeng=    3.6748985507246D-05, nenergy=  346
$end

$spectro
  diatom='HH+    ','HeH+   ','HeH+   '
  wecm= 0.2321700E+04, 0.3228840E+04, 0.3228840E+04
  wexecm= 0.6620000E+02, 0.1577100E+03, 0.1577100E+03
  weyecm= 0.0000000E+00, 0.0000000E+00, 0.0000000E+00
  becm= 0.3021000E+02, 0.3488780E+02, 0.3488780E+02
  decm= 0.1800000E-01, 0.1610000E-01, 0.1610000E-01
  alfecm= 0.1685000E+01, 0.2636200E+01, 0.2636200E+01
  reau= 0.1988000E+01, 0.1463000E+01, 0.1463000E+01
  vshift= 0.0000000E+00, 0.6118930E+04, 0.6118930E+04
$end

$spctro
  diatom='HH+    ','HeH+   ','HeH+   '
  wecm= 0.2321700E+04, 0.3228840E+04, 0.3228840E+04
  wexecm= 0.6620000E+02, 0.1577100E+03, 0.1577100E+03
  weyecm= 0.0000000E+00, 0.0000000E+00, 0.0000000E+00
  becm= 0.3021000E+02, 0.3488780E+02, 0.3488780E+02
  decm= 0.1800000E-01, 0.1610000E-01, 0.1610000E-01
  alfecm= 0.1685000E+01, 0.2636200E+01, 0.2636200E+01
  reau= 0.1988000E+01, 0.1463000E+01, 0.1463000E+01
  vshift= 0.0000000E+00, 0.6118930E+04, 0.6118930E+04
$end

$channels  
  nchanl=  100
$end

$basis_n
 lam_n=100, 1000*0 , lamfst= 0, lamlst= 0
$end

$pmaovr
  pmatfile= 'BinOut/pmatrx_abm',
  ovrfile= 'BinOut/ovrlp_abm',
  sbfrst= 'BinOut/setbasis.first',
  jtotfile= 'BinOut/diag_jtot_abm',
  corfile= 'BinOut/coriolis_abm',
  asymfile= 'BinOut/asym_top_abm'
$end


$logder  
   nsteps=  25, 
   start=    1.5000000000000, 
   finish=    15.000000000000,
   iprtx='little', 
   init_rmat='Read        ',
   rmat_file='R_Matrix', 
   method='old_logder',
 $end