! !======================================================================= ! MODULE UTIC_PARAMETERS ! USE ACCURACY_REAL ! CONTAINS ! ! !======================================================================= ! SUBROUTINE UTIC_PARAM(X,RS,T,OMQ,OM0) ! ! This subroutine computes the OMEGA(q) and OMEGA(0) parameters ! entering the Utsumi-Ichimaru dielectric function approach ! ! Reference: (1) K. Utsumi and S. Ichimaru, ! Phys. Rev. B 22, 1522-1533 (1980) ! ! ! Input parameters: ! ! * X : dimensionless factor --> X = q / (2 * k_F) ! * RS : Wigner-Seitz radius (in units of a_0) ! * T : temperature (in SI) ! ! ! Intermediate parameters: ! ! * SQ_TYPE : structure factor approximation (3D) ! * GQ_TYPE : local-field correction type (3D) ! * EC_TYPE : type of correlation energy functional ! * IQ_TYPE : type of approximation for I(q) ! ! Output parameters: ! ! * OMQ : OMEGA(q) characteristic frequency ! * OM0 : OMEGA(0) parameter = lim_{q --> 0} OMEGA(q) ! ! Author : D. Sébilleau ! ! Last modified : 3 Dec 2020 ! ! USE REAL_NUMBERS, ONLY : ZERO,ONE,TWO,HALF USE CONSTANTS_P1, ONLY : H_BAR USE FERMI_SI, ONLY : EF_SI,KF_SI USE PI_ETC, ONLY : PI,PI_INV USE LF_VALUES, ONLY : GQ_TYPE,IQ_TYPE USE SF_VALUES, ONLY : SQ_TYPE USE ASYMPT, ONLY : G0,GI USE RELAXATION_TIME_STATIC, ONLY : UTIC_RT_3D USE IQ_FUNCTIONS_1 USE LOCAL_FIELD_STATIC USE PLASMON_ENE_SI ! IMPLICIT NONE ! REAL (WP), INTENT(IN) :: X,RS,T REAL (WP), INTENT(OUT) :: OMQ,OM0 REAL (WP) :: Y,OMP REAL (WP) :: IQ,GQ,TAU_Q REAL (WP) :: COEF ! REAL (WP) :: SQRT ! Y = X + X ! q / k_F OMP = ENE_P_SI / H_BAR ! omega_p in SI ! ! Computing the static values I(q) and G(q) ! CALL IQ_3D(X,RS,IQ_TYPE,IQ) ! CALL LOCAL_FIELD_STATIC_3D(X,RS,T,GQ_TYPE,GQ) ! ! ! Computing the relaxation time TAU_Q ! TAU_Q = UTIC_RT_3D(X,RS,T,SQ_TYPE,GQ_TYPE) ! ! COEF = SQRT(HALF * PI) * OMP * OMP * TAU_Q ! ! OMQ = COEF * (GQ - IQ) ! ref. 1 eq. (3.19) OM0 = COEF * Y * Y * (G0 - GI) ! ref. 1 eq. (5.7) ! END SUBROUTINE UTIC_PARAM ! END MODULE UTIC_PARAMETERS