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29 lines
722 B
Fortran
29 lines
722 B
Fortran
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program basis_corr_su_pbe_ot
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implicit none
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BEGIN_DOC
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! TODO : Put the documentation of the program here
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END_DOC
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read_wf = .True.
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touch read_wf
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no_core_density = .True.
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touch no_core_density
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if(io_mo_two_e_integrals .ne. "Read")then
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provide ao_two_e_integrals_in_map
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endif
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provide mo_two_e_integrals_in_map
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call print_su_pbe_ot
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end
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subroutine print_su_pbe_ot
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implicit none
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integer :: istate
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do istate = 1, N_states
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write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD PBE-UEG , state ',istate,' = ',ecmd_pbe_ueg_mu_of_r(istate)
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enddo
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do istate = 1, N_states
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write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD SU-PBE-OT , state ',istate,' = ',ecmd_pbe_on_top_su_mu_of_r(istate)
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enddo
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end
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