!----------------------------------------------------------------- ! function : correction_ss ! ! package : li3 Potentials ! ! Language : Fortran 77 ! ! author : V. Venturi (vanessa.venturi@nist.gov) ! ! revision : F. Colavecchia (flavioc@lanl.gov) ! ! purpose : Harmonic correction for the potential. ! ! ! input : r -> interatomic distance in bohr. ! shift -> harmonic constant of the correction ! re -> distance at the minimum of the potential ! ! output : v -> correction potential ! !----------------------------------------------------------------- FUNCTION correction_ss (r, shift, re) USE Numeric_Kinds_Module IMPLICIT NONE REAL(KIND=DP_Kind) correction_ss, r, shift, c6, re correction_ss = 0.0d0 IF(r.lt.re) correction_ss = shift * (r - re) **2 RETURN END FUNCTION correction_ss