SUBROUTINE wgdat(rhovals, evalues, nenergy, nrho, ounit) USE FileUnits_Module IMPLICIT NONE INTEGER nenergy, nrho, ounit, ienergy, irho, jumpmin, jump, min, max REAL rhovals(nrho), evalues(nenergy,nrho) WRITE(ounit,5) WRITE(ounit,6)nrho WRITE(ounit,3)rhovals DO 1 ienergy = 1, nenergy WRITE(ounit,7) WRITE(ounit,6)nrho WRITE(ounit,4)(evalues(ienergy,irho),irho=1,nrho) WRITE(ounit,8) 1 CONTINUE CLOSE(Unit=ounit) OPEN(Unit=ounit,File=OutDIR(1:LEN(TRIM(OutDIR)))//'GraphicsOut/Adiabatic.graph',status='unknown') jumpmin = min(10,nenergy) DO jump = jumpmin, nenergy, 10 DO irho = 1, nrho WRITE(ounit,9)rhovals(irho), (evalues(ienergy,irho),ienergy=max(jump-9,1),jump) ENDDO IF(jump/=nenergy)WRITE(ounit,*)'&' ENDDO CLOSE(ounit) OPEN(Unit=ounit,File=OutDIR(1:LEN(TRIM(OutDIR)))//'GraphicsOut/Adiabatic.csv',status='unknown') DO irho=1,nrho WRITE(ounit,811)rhovals(irho),(evalues(ienergy,irho),ienergy=1,nenergy) ENDDO 811 FORMAT(1x,e14.7,10000(",",e14.7)) 3 FORMAT(1x,f10.5) 4 FORMAT(1x,e14.7) 5 FORMAT(' $readx',5x,'distance in bohr') 6 FORMAT(1x,i5) 7 FORMAT(' $ready',5x,'energy in ev.') 8 FORMAT(' $CONTINUE') 9 FORMAT(11e15.7) RETURN ENDSUBROUTINE wgdat