mirror of https://github.com/pfloos/quack
37 lines
1.2 KiB
Fortran
37 lines
1.2 KiB
Fortran
subroutine print_excitation_energies(method,manifold,nS,Om)
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! Print excitation energies for a given spin manifold
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implicit none
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include 'parameters.h'
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! Input variables
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character(len=*),intent(in) :: method
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character(len=*),intent(in) :: manifold
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integer,intent(in) :: nS
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double precision,intent(in) :: Om(nS)
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! Local variables
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integer,parameter :: maxS = 20
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integer :: m
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write(*,*)
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write(*,*)'-------------------------------------------------------------'
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write(*,'(1X,A15,A15,A15,A9)') trim(method),' calculation: ',trim(manifold),' manifold'
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write(*,*)'-------------------------------------------------------------'
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write(*,'(1X,A1,1X,A5,1X,A1,1X,A23,1X,A1,1X,A23,1X,A1,1X)') &
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'|','State','|',' Excitation energy (au) ','|',' Excitation energy (eV) ','|'
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write(*,*)'-------------------------------------------------------------'
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do m=1,min(maxS,nS)
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write(*,'(1X,A1,1X,I5,1X,A1,1X,F23.6,1X,A1,1X,F23.6,1X,A1,1X)') &
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'|',m,'|',Om(m),'|',Om(m)*HaToeV,'|'
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end do
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write(*,*)'-------------------------------------------------------------'
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write(*,*)
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end subroutine
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