306 lines
11 KiB
Fortran
306 lines
11 KiB
Fortran
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!=======================================================================
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!
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MODULE CALCULATORS_9
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!
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USE ACCURACY_REAL
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USE CALCULATORS_1
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!
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! This module contains the subroutines allowing to compute
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! various properties of the electron/plasma liquids:
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!
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!
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! * loss function : CALC_LOS
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! * screened potential : CALC_VSC
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!
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CONTAINS
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!=======================================================================
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!
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SUBROUTINE CALC_LOS(X)
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!
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! This subroutine computes the loss function L(q, omega),
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! defined by
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! _ _
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! | - 1 |
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! L(q, omega) = Im | --------------- |
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! |_ EPS(q, omega) _|
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!
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!
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! Input parameters:
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!
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! * X : dimensionless factor --> X = q / (2 * k_F)
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!
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!
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! Intermediate parameters:
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!
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! * RS : Wigner-Seitz radius (in units of a_0)
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! * T : temperature in SI
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! * DMN : problem dimension
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!
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!
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! Output parameters:
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!
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! * E : energy array
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! * VSCR : real part of the screened potential
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! * VSCI : imaginary part of the screened potential
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!
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!
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!
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!
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! Author : D. Sébilleau
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!
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! Last modified : 15 Oct 2020
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!
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!
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USE DIMENSION_CODE, ONLY : NSIZE
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USE REAL_NUMBERS, ONLY : ZERO,ONE,FOURTH,SMALL,TTINY,INF
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USE FERMI_SI, ONLY : KF_SI
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USE DF_VALUES, ONLY : ESTDY,EPS_T,D_FUNC
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USE MATERIAL_PROP, ONLY : RS,DMN
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USE EXT_FIELDS, ONLY : T,H
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!
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USE E_GRID
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USE UNITS, ONLY : UNIT
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!
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USE DFUNC_STATIC
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USE DFUNCT_STAN_DYNAMIC
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USE DFUNCL_STAN_DYNAMIC
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USE DFUNCL_MAGN_DYNAMIC
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USE COULOMB_K
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!
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USE OUT_VALUES_9, ONLY : I_EL
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USE PRINT_FILES, ONLY : IO_EL
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!
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IMPLICIT NONE
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!
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CHARACTER (LEN = 4) :: D_FUNCL,D_FUNCT
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!
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REAL (WP) :: X
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REAL (WP) :: REPS,IEPS,LOS
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REAL (WP) :: Q,Z,EN,VC,A,NU,KS
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REAL (WP) :: Y
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!
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REAL (WP) :: FLOAT
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!
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INTEGER :: IE
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!
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Y = X + X ! q/k_F
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Q = Y * KF_SI ! q in SI
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!
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! Computing the Coulomb potential
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!
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CALL COULOMB_FF(DMN,UNIT,Q,ZERO,VC) !
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!
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IF(ESTDY == ' STATIC') THEN !
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!
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! Static susceptibility function
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!
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IF(EPS_T == 'LONG') THEN !
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!
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D_FUNCL = D_FUNC !
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CALL DFUNCL_STATIC(X,D_FUNCL,REPS,IEPS) ! longitudinal eps
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!
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ELSE !
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D_FUNCT = D_FUNC !
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CONTINUE ! transverse eps
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END IF !
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!
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LOS = IEPS / (REPS * REPS + IEPS * IEPS) !
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!
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IF(I_EL == 1) THEN !
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WRITE(IO_EL,*) Y,LOS !
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END IF !
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!
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ELSE !
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!
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! Loss function
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!
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DO IE = 1, N_E ! energy loop
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!
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EN = E_MIN + FLOAT(IE - 1) * E_STEP ! E = hbar omega / E_F
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!
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Z = FOURTH * EN / (X * X) ! Z = omega / omega_q
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!
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IF(EPS_T == 'LONG') THEN ! longitudinal eps
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!
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D_FUNCL = D_FUNC !
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IF(H < SMALL) THEN !
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CALL DFUNCL_DYNAMIC(X,Z,RS,T,D_FUNCL,IE,REPS,IEPS) ! no magnetic field
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ELSE !
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CALL DFUNCL_DYNAMIC_M(X,Z,KS,A,NU,D_FUNCL,REPS,IEPS) ! magnetic field
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END IF !
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ELSE ! transverse eps
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D_FUNCT = D_FUNC !
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IF(H < SMALL) THEN !
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CALL DFUNCT_DYNAMIC(X,Z,D_FUNCT,REPS,IEPS) ! no magnetic field
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ELSE !
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CONTINUE ! magnetic field
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END IF !
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END IF !
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!
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LOS = IEPS / (REPS * REPS + IEPS * IEPS) !
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!
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IF(I_EL == 1) THEN ! writing to
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WRITE(IO_EL,*) Y,EN,LOS ! file
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END IF !
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!
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END DO ! end of energy loop
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!
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END IF !
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!
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END SUBROUTINE CALC_LOS
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!
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!=======================================================================
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!
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SUBROUTINE CALC_VSC(X)
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!
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! This subroutine computes the screened Vc(q, omega)
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!
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!
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! Input parameters:
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!
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! * X : dimensionless factor --> X = q / (2 * k_F)
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!
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!
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! Intermediate parameters:
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!
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! * RS : Wigner-Seitz radius (in units of a_0)
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! * T : temperature in SI
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! * DMN : problem dimension
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!
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!
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! Output parameters:
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!
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! * E : energy array
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! * VSCR : real part of the screened potential
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! * VSCI : imaginary part of the screened potential
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!
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!
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!
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!
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! Author : D. Sébilleau
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!
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! Last modified : 30 Apr 2021
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!
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!
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USE DIMENSION_CODE, ONLY : NSIZE
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USE REAL_NUMBERS, ONLY : ZERO,FOURTH,SMALL,TTINY,INF
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USE FERMI_SI, ONLY : KF_SI
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USE DF_VALUES, ONLY : ESTDY,EPS_T,D_FUNC
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USE MATERIAL_PROP, ONLY : RS,DMN
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USE EXT_FIELDS, ONLY : T,H
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!
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USE E_GRID
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USE UNITS, ONLY : UNIT
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!
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USE DFUNC_STATIC
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USE DFUNCT_STAN_DYNAMIC
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USE DFUNCL_STAN_DYNAMIC
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USE DFUNCL_MAGN_DYNAMIC
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USE COULOMB_K
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!
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USE OUT_VALUES_9, ONLY : I_VC
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USE PRINT_FILES, ONLY : IO_VC
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!
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IMPLICIT NONE
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!
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CHARACTER (LEN = 4) :: D_FUNCL,D_FUNCT
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!
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REAL (WP) :: X
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REAL (WP) :: VSCR(NSIZE),VSCI(NSIZE),E(NSIZE)
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REAL (WP) :: REPS,IEPS,RVSC,IVSC
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REAL (WP) :: Q,Z,EN,VC,A,NU,KS
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REAL (WP) :: Y
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!
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REAL (WP) :: FLOAT
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!
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INTEGER :: IE
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!
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Y = X + X ! q/k_F
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Q = Y * KF_SI ! q in SI
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!
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! Computing the Coulomb potential
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!
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CALL COULOMB_FF(DMN,UNIT,Q,ZERO,VC) !
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!
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IF(ESTDY == ' STATIC') THEN !
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!
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! Static dielectric function
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!
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IF(EPS_T == 'LONG') THEN !
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!
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D_FUNCL = D_FUNC !
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CALL DFUNCL_STATIC(X,D_FUNCL,REPS,IEPS) ! longitudinal eps
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!
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IF(REPS > TTINY) THEN !
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VSCR(1)= VC / REPS !
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ELSE !
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VSCR(1) = INF !
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END IF !
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IF(IEPS > TTINY) THEN !
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VSCI(1) = VC / IEPS !
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ELSE !
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VSCI(1) = INF !
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END IF !
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!
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IF(I_VC == 1) THEN !
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WRITE(IO_VC,*) Y,VSCR(1),VSCI(1) !
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END IF !
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!
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ELSE !
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D_FUNCT = D_FUNC !
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CONTINUE ! transverse eps
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END IF !
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!
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ELSE !
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!
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! Dynamic dielectric function
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!
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DO IE = 1, N_E ! energy loop
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!
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EN = E_MIN + FLOAT(IE - 1) * E_STEP ! E = hbar omega / E_F
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!
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Z = FOURTH * EN / (X * X) ! Z = omega / omega_q
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!
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IF(EPS_T == 'LONG') THEN ! longitudinal eps
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!
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D_FUNCL = D_FUNC !
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IF(H < SMALL) THEN !
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CALL DFUNCL_DYNAMIC(X,Z,RS,T,D_FUNCL,IE,REPS,IEPS) ! no magnetic field
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ELSE !
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CALL DFUNCL_DYNAMIC_M(X,Z,KS,A,NU,D_FUNCL,REPS,IEPS) ! magnetic field
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END IF !
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ELSE ! transverse eps
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D_FUNCT = D_FUNC !
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IF(H < SMALL) THEN !
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CALL DFUNCT_DYNAMIC(X,Z,D_FUNCT,REPS,IEPS) ! no magnetic field
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ELSE !
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CONTINUE ! magnetic field
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END IF !
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END IF !
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!
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IF(REPS > TTINY) THEN !
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VSCR(IE) = VC / REPS !
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ELSE !
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VSCR(IE) = INF !
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END IF !
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IF(IEPS > TTINY) THEN !
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VSCI(IE) = VC / IEPS !
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ELSE !
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VSCI(IE) = INF !
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END IF !
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E(IE) = EN !
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!
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IF(I_VC == 1) THEN ! writing to
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WRITE(IO_VC,*) Y,EN,VSCR(IE),VSCI(IE) ! file
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END IF !
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!
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END DO ! end of energy loop
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!
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END IF !
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!
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END SUBROUTINE CALC_VSC
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!
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END MODULE CALCULATORS_9
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