diff --git a/cs_adiabats_2.f90 b/cs_adiabats_2.f90 index 3dff8fa..980d4ef 100644 --- a/cs_adiabats_2.f90 +++ b/cs_adiabats_2.f90 @@ -134,7 +134,7 @@ program findmax nlevuniq=0 do i=1,nlevtot write (6,*) 'i = ', i - read(9,*) sigidx(i),jH2O(i),tau2(i),bid, bid,jCO(i),E_lev(i) + read(9,*) sigidx(i),jH2O(i),tau2(i),bid, bid,jCO(i),E_lev(i) ! hibridon's output format write (6,*) 'sigidx = ', sigidx(i) if (sigidx(i).ne.sigidx(i-1)) then nlevuniq=nlevuniq+1 @@ -151,9 +151,9 @@ program findmax jbmax=maxval(jb) do jai=0,5 - taumax=2*jai+1 + ! taumax=2*jai+1 ! print*, "taumax=",taumax - do taui=1,taumax + do taui=-4,4,2 ! for mzoltowski do jbi = 0,10 ! print*, jai,taui,jbi @@ -167,6 +167,7 @@ program findmax enddo print*, "inist=", inist, "with energy", Elev(inist) if (inist .ne. 0) then ! if inist =0, dont do anything (wrong parity) + ! stop ! print*, "initial state does not exist" ! print*, "inist=", inist diff --git a/readme.md b/readme.md index 7bf7d11..dd67e01 100644 --- a/readme.md +++ b/readme.md @@ -9,8 +9,14 @@ inputs: generated from hibridon's job.eadiab and renamed and adapted - 2 second symmetry jtot: total angular momentum number lvls.dat : energy levels of the systems + 31 2 2 2 0 0 136.563 -ouputs: - cross____.dat \ No newline at end of file + bastst=TRUE + # J1 IS KP KO J2 Eint(cm-1) Coeffs + + +outputs: + cross____.dat +