135 lines
5.4 KiB
Fortran
135 lines
5.4 KiB
Fortran
!
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!=======================================================================
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!
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MODULE THERMAL_P
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!
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! This module defines the thermal parameters
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!
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USE ACCURACY_REAL
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!
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IMPLICIT NONE
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!
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REAL (WP) :: K_TH,V_TH,L_TH,CV,P,MU_TH
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!
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END MODULE THERMAL_P
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!
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!=======================================================================
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!
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MODULE PRINT_THERMAL
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!
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! This module prints the thermal properties in the log file
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!
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!
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CONTAINS
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!
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!=======================================================================
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!
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SUBROUTINE CALC_THERMAL_PROP
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!
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USE MATERIAL_PROP, ONLY : RS,DMN
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USE EXT_FIELDS, ONLY : T
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USE THERMAL_PROPERTIES
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USE CHEMICAL_POTENTIAL, ONLY : MU
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!
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USE THERMAL_P
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!
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IMPLICIT NONE
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!
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CALL TH_PROP(DMN,RS,T,K_TH,V_TH,L_TH,CV,P) !
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MU_TH=MU(DMN,T) !
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!
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END SUBROUTINE CALC_THERMAL_PROP
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!
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!=======================================================================
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!
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SUBROUTINE PRINT_THERMAL_PROP
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!
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! This subroutine prints the thermal properties in the log file
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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 : 28 Jul 2020
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!
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!
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USE CONSTANTS_P1, ONLY : BOHR
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USE ENE_CHANGE, ONLY : ANG,EV
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USE EXT_FIELDS, ONLY : T
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!
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USE THERMAL_P
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!
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IMPLICIT NONE
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!
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REAL (WP) :: TEST
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!
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INTEGER :: LOGF
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LOGF=6 ! log file unit
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!
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TEST=90000.0E0_WP !
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!
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CALL CALC_THERMAL_PROP !
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!
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WRITE(LOGF,17) !
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WRITE(LOGF,7) T !
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WRITE(LOGF,27) !
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!
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IF(K_TH*BOHR <= TEST) THEN !
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WRITE(LOGF,10) K_TH*ANG !
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ELSE !
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WRITE(LOGF,15) K_TH*ANG !
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END IF !
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IF(V_TH <= TEST) THEN !
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WRITE(LOGF,20) V_TH !
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ELSE !
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WRITE(LOGF,25) V_TH !
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END IF !
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IF(L_TH <= TEST) THEN !
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WRITE(LOGF,30) L_TH/ANG !
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ELSE !
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WRITE(LOGF,35) L_TH/ANG !
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END IF !
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IF(CV <= TEST) THEN !
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WRITE(LOGF,40) CV !
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ELSE !
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WRITE(LOGF,45) CV !
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END IF !
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IF(P <= TEST) THEN !
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WRITE(LOGF,50) P !
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ELSE !
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WRITE(LOGF,55) P !
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END IF !
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IF(MU_TH/EV <= TEST) THEN !
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WRITE(LOGF,60) MU_TH/EV !
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ELSE !
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WRITE(LOGF,65) MU_TH/EV !
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END IF !
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!
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WRITE(LOGF,70) !
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!
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! Formats:
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!
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10 FORMAT(5X,'|',5X,'De Broglie wave vector : ',F10.3,' Å^{-1}',' |')
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20 FORMAT(5X,'|',5X,'thermal velocity : ',F10.3,' m/s',3X,' |')
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30 FORMAT(5X,'|',5X,'Landau length : ',F10.3,' Å |')
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40 FORMAT(5X,'|',5X,'electron specific heat : ',F10.3,' SI |')
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50 FORMAT(5X,'|',5X,'electron pressure : ',F10.3,' SI |')
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60 FORMAT(5X,'|',5X,'chemical potential : ',F10.3,' eV |')
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!
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15 FORMAT(5X,'|',5X,'De Broglie wave vector : ',E12.6,' Å^{-1} |')
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25 FORMAT(5X,'|',5X,'thermal velocity : ',E12.6,' m/s |')
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35 FORMAT(5X,'|',5X,'Landau length : ',E12.6,' Å |')
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45 FORMAT(5X,'|',5X,'electron specific heat : ',E12.6,' SI |')
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55 FORMAT(5X,'|',5X,'electron pressure : ',E12.6,' SI |')
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65 FORMAT(5X,'|',5X,'chemical potential : ',E12.6,' eV |')
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!
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7 FORMAT(5X,'|',10X,'Thermal properties at T = ',F10.3,' °K : ',5X,'|')
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17 FORMAT(6X,'_________________________________________________________')
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27 FORMAT(5X,'| |')
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70 FORMAT(5X,'|_________________________________________________________|',/)
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!
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END SUBROUTINE PRINT_THERMAL_PROP
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!
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END MODULE PRINT_THERMAL
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