! !======================================================================= ! MODULE SQ_I ! USE ACCURACY_REAL ! ! It contains the following functions/subroutines: ! ! * FUNCTION SQ_I_3D(X,GR0_MODE) ! CONTAINS ! ! !======================================================================= ! FUNCTION SQ_I_3D(X,RS,GR0_MODE) ! ! This function computes the asymptotic behaviour of the static ! structure factor at infinity: ! ! lim (q --> infinity) S(q) ! ! References: (1) N. Iwamoto, E. Krotscheck and D. Pines, ! Phys. Rev. B 28, 3936-3951 (1984) ! ! ! Input parameters: ! ! * X : dimensionless factor --> X = q / (2 * k_F) ! * RS : Wigner-Seitz radius (in units of a_0) ! * GR0_MODE : g(0) (3D) ! ! ! ! Author : D. Sébilleau ! ! Last modified : 5 Aug 2020 ! ! USE REAL_NUMBERS, ONLY : ONE,SIX USE CONSTANTS_P1, ONLY : BOHR USE FERMI_SI, ONLY : KF_SI USE PI_ETC, ONLY : PI USE GR_0, ONLY : GR_0_3D ! IMPLICIT NONE ! CHARACTER (LEN = 4) :: GR0_MODE ! REAL (WP), INTENT(IN) :: X,RS REAL (WP) :: SQ_I_3D REAL (WP) :: COEF ! COEF = ONE / (SIX * PI * BOHR * KF_SI) ! ! SQ_I_3D = ONE - COEF * GR_0_3D(RS,GR0_MODE) / (X * X * X * X) ! ! RETURN ! END ! END MODULE SQ_I