SUBROUTINE pot(r, hstep, v0, v1, v2, jvalue, mu) USE Numeric_Kinds_Module USE Numbers_Module !USE OneDim_Parms_Module USE FileUnits_Common_Module USE FileUnits_OneDim_Module !USE CriticalDist_Module USE QState_Module USE DiatomicPot_Module IMPLICIT NONE CHARACTER(LEN=4), PARAMETER :: PESName='Vli2' INTEGER jvalue REAL(KIND=WP_Kind) r, mu, hstep, h, v0, v1, v2, cent0, cent1, cent2, VLi2 !mu=ReducedMass IF(TRIM(DiatomicPot)/="VLi2")THEN WRITE(Screen_Unit,*)'Error not using VLi2' WRITE(Msg_Unit,*)'Error not using VLi2' WRITE(Out_Unit,*)'Error not using VLi2' STOP 'Li2' ENDIF v0=VLi2(r) h=1.0d-3 v1=(VLi2(r+h)-VLi2(r-h))/h v2=(VLi2(r+h)-Two*VLi2(r)+VLi2(r-h))/(Two*h**2) IF(r.eq.0)THEN v1=-68.0d0 v2=1.86d0 ENDIF CALL CenTerm(r, jvalue, mu, cent0, cent1, cent2) v0=v0+cent0 v1=v1+cent1 v2=v2+cent2 RETURN END SUBROUTINE pot