H+H2 reactive scattering using PK2 potential                        :
 channel(1)=HH+H,    channel(2)=HH+H     channel(3)=HH+H              :
 Analytic basis function calculation.                                 :
H3 Porter-Karplus PES    :

 $mass  
   amass=1.0079700000000d0, bmass=1.0079700000000d0, cmass=1.0079700000000d0
 $end

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


 $convrg
   eigmin=1.0000000000000D-06, ovrerr=1.0000000000000D-04, ngood=80, nfreq=80, nave1=1, nave2=60
 $end

 $quantum
  minvib=  0  0  0
  maxvib=  4  4  4
  jmin(0,1,0)=   5*0,  jmax(0,1)=  5*16
  jmin(0,2,0)=   5*0,  jmax(0,2)=  5*16
  jmin(0,3,0)=   5*0,  jmax(0,3)=  5*16
 $end

 $gausst
   npow=     0, 0, 0,  
   noscil=   5  5  5,
   nhermt=  42  42  42,
   nglegn=  46  46  46,
   rx=    1.085000000000000d0    1.085000000000000d0    1.085000000000000d0, 
   re=    1.401120000000000d0    1.401120000000000d0    1.401120000000000d0, 
   weau=  2.0053400000000D-02    2.0053400000000D-02    2.0053400000000D-02,
   ralpha=3.166000000000000d0    3.166000000000000d0    3.166000000000000d0,
 $end

 $qcasep
   qcase=  T, qswitch=    3.0
 $end

 $qdivp
   nthdiv=  2,
   nchdiv=  7,
   nqth=  20  20   0   0   0   0   0  0  0  0  0  0  0  0  0  0  0  0  0  0  0,
   nqch=  13  10  20  10  20  10  13  0  0  0  0  0  0  0  0  0  0  0  0  0  0,
   thdiv=  0.d0                 0.75000000000000d0  1.5707963267949d0    0.d0
           0.                   0.                  0.                   0.
           0.                   0.                  0.                   0.
           0.                   0.                  0.                   0.
           0.                   0.                  0.                   0.
           0.,
   chdiv= -1.5707963267949d0   -1.2472000000000d0  -0.84720000000000d0  -0.20000000000000d0
           0.2000000000000d0    0.8472000000000d0   1.24720000000000d0    1.5707963267949d0
           0.                   0.                  0.                    0.  
           0.                   0.                  0.                    0.
           0.                   0.                  0.                    0.
           0.
 $end

 $sfundist
     nrho=  5,
     rhomin=    2.0d0,
     deltarho1= 0.0d0,
     deltarho2= 1.0000000000000D-02,
     rhomax=   10.0251885277176D+00
 $end


 $rstart 
   restart=.false.,
   nbreak=100,
   irhost=3 $end
 $dipole
     nsurf=1
 $end

 $system 
         mass=1.00782503d0,1.00782503d0,1.00782503d0,
         nsector=3,
         nchisec=40    ,100   ,120   ,0    ,
         nthesec=20    ,50    ,60    ,0    ,0,
         rendsec=6.00d0,8.00d0,12.0d0,0.0d0,
         potmsec=3.90d0,3.90d0,3.90d0,0.0d0,
         pevmsec=3.50d0,2.60d0,2.60d0,0.0d0,
         rho1=5.d0,
         peigv=.false.,
         debug=.false.,
         ltheta=0,
         matelem=.True.,
         h3sys=.false.,
         fbrtr=.false.,
         rhofbr1=11.80d0,
         rhofbr2=11.99d0,
         nsfunc=80,
         nrow=5,
         ncol=5,
         ngood1=60,
         ngood2=80,
         initsec=1,
         nrhomx=5,
         fmpotma=1.500d0,
         pointg='c2v',
         medium=.true.
 $end

 $sysu
     jevenu=.true.,iparu=0,jtotu=0,megau=0,cstestu=.false.,
     pointu='c2v',
     nrhos1u=1,
     rhos1u=5.0d0,
     pevms1u=4.d0
 $end
H3 Porter-Karplus PES    :


 $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)=  3
   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)=  3
   subs( 77)='readabf',iprt( 77)=  0
   subs( 78)='readbas',iprt( 78)=  0
   subs( 79)='readfem',iprt( 79)=  0
   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)=  1
   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 

 $savnam  
   ithsav=  100
 $end

 $mshdat  nlt=  17, nlc=  8  8  8, ndiv=  0, nfreq=  12, nxtra=  0, nodmax=
   19000, tolfn2=    5.0000000000000D-02, xkmesh=    12.220000000000, nlancz=
   2, nconsidr=  246, tolfn1=   0.80000000000000
 $end
 $stst  nquad=  5, seq=    1.1353200000000    1.1353200000000    1.1353200000000
 , betaw=    21.510000000000    21.510000000000    21.510000000000, chncof=
     1.0000000000000    1.0000000000000    1.0000000000000, betafrst=
    10.0000000000000   10.0000000000000   10.0000000000000
 $end

 $setpot
   vzero=0.0
 $end

 $energy
   efirst=   1.102479266030699d-2,
   deltaeng= 3.674930886769200d-3,
   elast=    4.777410152799899d-2,
   nenergy= 11
 $end


 $intchanl
   integrat=T,F,T
 $end

 $store
   irdindep=  F, iwrindep=  T
 $end

 $quantumq
  minvib=  0  0  0
  maxvib=  4  4  4
  jmin(0,1)=   5*0,  jmax(0,1)=  5*16
  jmin(0,2)=   5*0,  jmax(0,2)=  5*16
  jmin(0,3)=   5*0,  jmax(0,3)=  5*16
 $end

 $quantumx
  minvib=  0  0  0
  maxvib=  4  4  4
  jmax(0,1)=  16
  jmax(1,1)=  16
  jmax(2,1)=  16
  jmax(3,1)=  16
  jmax(4,1)=  16
  jmax(0,2)=  16
  jmax(1,2)=  16
  jmax(2,2)=  16
  jmax(3,2)=  16
  jmax(4,2)=  16
  jmax(0,3)=  16
  jmax(1,3)=  16
  jmax(2,3)=  16
  jmax(3,3)=  16
  jmax(4,3)=  16

 $end

 $gaussx  noscil=  19  19  19, nglegn=  32  32  32, nhermt=  21  21  21, ralpha=
    0.95000000000000d0   0.95000000000000d0   0.95000000000000d0, rx=    1.1000000000000d0
     1.1000000000000d0    1.1000000000000d0, npow=  0  0  0, re=    1.4011200000000d0
     1.4011200000000d0    1.4011200000000d0, weau=  2.0053400000000D-02,
     2.0053400000000D-02 2.0053400000000D-02
 $end
 $rhovalue  rhoval=    10.0251885277176d0
 $end

 $gauss
   old_way=  T
   npow=     0,
   noscil=   5  5  5,
   nhermt=  42  42  42,
   nlegndre=17  17  17,
   nglegn=  46  46  46,
   intwt=    1   1   1,
   rx=    1.085000000000000d0    1.085000000000000d0    1.085000000000000d0, 
   re=    1.401120000000000d0    1.401120000000000d0    1.401120000000000d0, 
   zeta=  1.000000000000000d0    7.600000000000000d0    1.000000000000000d0, 
   delta= 0.010000000000000d0    0.010000000000000d0    0.010000000000000d0, 
   weau=  2.0053400000000D-02    2.0053400000000D-02    2.0053400000000D-02,
   wexeau=5.5284700000001D-04    5.5284700000000D-04    5.5284700000000D-04,
   ralpha=3.166000000000000d0    3.166000000000000d0    3.166000000000000d0,
   balpha=1.000000000000000d0    1.000000000000000d0    1.000000000000000d0,
   calpha=0.920000000000000d0    0.920000000000000d0    0.920000000000000d0,
   dalpha=0.030000000000000d0    0.030000000000000d0    0.030000000000000d0,
   anharm=0.800000000000000d0    0.800000000000000d0    0.800000000000000d0,
 $end

 $spectro 
  diatom='H-H    ','H-H    ','H-H    '
  wecm= 0.4401213d+04, 0.4401213d+04, 0.4401213d+04
  wexecm= 0.1213360d+03, 0.1213360d+03, 0.1213360d+03
  weyecm= 0.8129000d+00, 0.8129000d+00, 0.8129000d+00
  becm= 0.6085300d+02, 0.6085300d+02, 0.6085300d+02
  decm= 0.4710000d-01, 0.4710000d-01, 0.4710000d-01
  alfecm= 0.3062200d+01, 0.3062200d+00, 0.3062200d+00
  reau= 0.1401081d+01, 0.1401081d+01, 0.1401081d+01
  vshift= 0.0000000d+00, 0.0000000d+00, 0.0000000d+00
 $end


 $etachanl
 $end

 $distance  start=17.0, 
    endaph=10.0, 
    enddelve=10.0, 
    switch=10.0, 
    finish=10.0
 $end

 $logder  nsteps=10, 
    start=17.0d0,
    finish=10.0d0, 
    iprtx='none  ', 
    calc_re=F,
    nsector=7, 
    init_rmat='Initialize  ', 
    rmat_file='R_matrix'
    method='logder    '
 $end