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program dynamic_pol
c
c this small utility computes the dynamic polarisability
c from a TDDFT calculation output
implicit real*8(a-h,p-z)
character*12 nomin,nomout
character*5 string,check
integer nomega,nexcit,omegamax
real*8 eha(40),eev(40),ostr(40)
omegamax=5.0d0
nomega=100
check = ' Osc'
write(*,*)'Abinit output filename :'
read(*,*) nomin
write(*,*)'Polarisability output filename :'
read(*,*) nomout
open(5,file=nomin,status='OLD',err=201)
string='rrrrr'
do while (string.ne.check)
read(5,10) string
write(*,*) string
enddo
read(5,*)
index=1
400 read(5,*,err=300)i,eha(index),eev(index),ostr(index)
write(*,*)i,eha(index),eev(index),ostr(index)
index=index+1
goto 400
300 index=index-1
write(*,*)'singlet excitations :',index
string='rrrrr'
do while (string.ne.check)
read(5,10) string
enddo
10 format(A5)
read(5,*)
401 read(5,*,err=301)i,eha(index),eev(index),ostr(index)
write(*,*)i,eha(index),eev(index),ostr(index)
index=index+1
goto 401
301 nexcit=index-1
write(*,*)'singlet+triplet excitations :',nexcit
open(6,file=nomout,status='UNKNOWN')
write(6,*)'Omega, Alpha'
do iomega=1,nomega
om=omegamax*(iomega*1.0d0/(nomega*1.0d0))
pola=0.0d0
do iexcit=1,nexcit
pola=pola+ostr(iexcit)/(eev(iexcit)*eev(iexcit)-om*om)
enddo
write(6,50)om,pola
enddo
50 format(D13.5,' , ',D13.5)
goto 500
201 write(*,*)'file ',nomin,' does not exist'
goto 500
202 write(*,*)'cannot find string Oscillator '
goto 500
500 end
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