! 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