get_mrational_damping Subroutine

subroutine get_mrational_damping(param, method, error, s9,citation)

   !> Loaded parameter record
   type(d3_param), intent(out) :: param

   !> Name of the method to look up
   character(len=*), intent(in) :: method

   !> Overwrite s9
   real(wp), intent(in), optional :: s9

   !> Citation information
   type(citation_type), intent(out), optional :: citation

   !> Error handling
   type(error_type), allocatable, intent(out) :: error

   select case(get_method_id(method))
   case default
      call fatal_error(error, "No entry for '"//method//"' present")
      return
   case(p_b2plyp_df)
      param = d3_param(a1=0.486434_wp, s8=0.672820_wp, a2=3.656466_wp, s6=0.640000_wp)
   case(p_b3lyp_df, p_b3lyp_g_df, p_dm21_df, p_dm21m_df, p_dm21mc_df, p_dm21mu_df)
      param = d3_param(a1=0.278672_wp, s8=1.466677_wp, a2=4.606311_wp)
   case(p_b97d_df)
      param = d3_param(a1=0.240184_wp, s8=1.206988_wp, a2=3.864426_wp)
   case(p_blyp_df)
      param = d3_param(a1=0.448486_wp, s8=1.875007_wp, a2=3.610679_wp)
   case(p_bp_df)
      param = d3_param(a1=0.821850_wp, s8=3.140281_wp, a2=2.728151_wp)
   case(p_pbe_df)
      param = d3_param(a1=0.012092_wp, s8=0.358940_wp, a2=5.938951_wp)
   case(p_pbe0_df)
      param = d3_param(a1=0.007912_wp, s8=0.528823_wp, a2=6.162326_wp)
   case(p_lcwpbe_df)
      param = d3_param(a1=0.563761_wp, s8=0.906564_wp, a2=3.593680_wp)
   end select

   if (present(citation)) citation = get_citation(doi_dftd3_m)

   if (present(s9)) then
      param%s9 = s9
   end if

end subroutine get_mrational_damping