N2-Ar CC PATTENGILL POTENTIAL
1 ibasty
T T F F logdfl, airyfl, readpt, bastst
5.6000 8.0000 .1500 rstart, rendld, spac
F prairy
1.150 3.00 25.0 15.00 tolai, rincr, rendai, fstfac
1 nerg
500.0
16.47000 xmu
30.0000 rcut
0 20 1 0 0 0 1 jtot1,jtot2,jtotd,jlpar,numin,numax,nud
48 0 lscreen, iprint
4 1 nnout,niout
0 2 4 6
0
F F F F T prlogd, prsmat, prt2, t2test, wrsmat
F F F F F wrpart, prpart, prxsec, wrxsec, wavefl
T T F F F noprin, chlist, ipos, nucros, photof
F F F T F flaghf, csflag, flagsu, ihomo, twomol
F rsflag
1 0 0 nvib, vmin,vmax
0 0 4 iv,jmin,jmax
2.01000 .000000E+00 .000000E+00 brot,drot,hrot
.00000000 evib
Return to:
Commands | Examples | Hibridon Help