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coupling_general.f
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coupling_general.f
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! Electronic coupling routine:
! you have to adapt it only to generate pot.out (with colpot.sh)
! when you want to get Electronic Predissociation halwidths
! in the time-dependent Golden Rule approach
! input:
! coordinates (in bohr) for A+BC: rBA,rBC,costetABC
! nelecnelec,,nelecmax: the number of electronic states
! output:
! coup(1:nelecmax) a vector between the initial electronic
! state (only one) and the nelecmax electronic states
! in which dynamic is studied
subroutine ecoupling(rBA,rBC,costetABC,coup,nelec,nelecmax)
implicit real*8(a-h,o-z)
return
end
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
subroutine setcoupini
implicit real*8(a-h,o-z)
! set the magnitudes used and title of the couplings used in ecoupling routine
write(6,"(/,40('-'),//
& ,10x,'Coupling from ............... '
& ,//,15x,' , version October, 2022',//,40('-'),//)")
return
end