!------------------------------------------------------------------- ! function : vli3_int ! ! package : Li3 Potential ! ! Language : Fortran 77 ! ! author : F. Colavecchia (flavioc@lanl.gov) ! ! date : 05/12/02 ! revision : ! ! purpose : Compute the three body part of the Li3 potential ! via extrapolation ! ! input : r -> (dim=3) interatomic distances in bohr. ! ! output : vli3_int -> li3 three-body interpolated potential in a.u. ! !------------------------------------------------------------------- real*8 function vli3_int(r) implicit none integer i integer r2s real*8 r(3) real*8 v,s1,s2,s3 ! ! Compute the three body part of the Li3 potential ! via extrapolation vli3_int = 0d0 !default value if the interpolation is an extrapolation ! ! get the s1,s2,s3 i = r2s(r(1),r(2),r(3),s1,s2,s3,.true.) call interpolate_old(s1,s2,s3,v) 100 format(7f11.6) vli3_int = v return end