C ********************** CDSUM ******************** C C SUM CHARGE DENSITY FROM EXTENDED STATES AND HIGH LYING BOUND STATES C C DIMENSION ZVAC(1000),CDVAC(1000),ZSEM(20000),CDSEM(20000) DOUBLE PRECISION SUM C C GET EXTENDED STATES C NSTATES=200 NBARR=97 NS2=9122 DO 50 I=NBARR-1,1,-1 CDVAC(I)=0. 50 CONTINUE DO 60 I=1,NS2 CDSEM(I)=0. 60 CONTINUE DO 150 K=1,NSTATES DO 100 I=NBARR-1,1,-1 READ(65,*,END=120) Z,CD ZVAC(I)=Z CDVAC(I)=CDVAC(I)+CD 100 CONTINUE DO 110 I=1,NS2 READ(65,*,END=120) Z,CD ZSEM(I)=Z CDSEM(I)=CDSEM(I)+CD 110 CONTINUE GO TO 130 120 WRITE(6,*) '*** ERROR - ENCOUNTERED END OF FILE (EXT)' READ(5,*) 130 CONTINUE 150 CONTINUE WRITE(6,*) 'FINISHED WITH EXTENDED STATES' C C GET LOCALIZED STATES C NSTATES=4 KINCLUDE=2 DO 250 K=1,NSTATES DO 200 I=NBARR-1,1,-1 READ(62,*,END=220) Z,CD ZVAC(I)=Z IF (K.GE.KINCLUDE) CDVAC(I)=CDVAC(I)+CD 200 CONTINUE DO 210 I=1,NS2 READ(62,*,END=220) Z,CD ZSEM(I)=Z IF (K.GE.KINCLUDE) CDSEM(I)=CDSEM(I)+CD 210 CONTINUE GO TO 230 220 WRITE(6,*) '*** ERROR - ENCOUNTERED END OF FILE (LOC)' READ(5,*) 230 CONTINUE 250 CONTINUE WRITE(6,*) 'FINISHED WITH LOCALIZED STATES' C C OUTPUT C DO 300 I=NBARR-1,1,-1 WRITE(18,*) ZVAC(I),CDVAC(I) 300 CONTINUE DO 310 I=1,NS2 WRITE(18,*) ZSEM(I),CDSEM(I) 310 CONTINUE WRITE(6,*) 'PRESS ENTER TO EXIT' READ(5,*) C STOP END