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put more explicit print in print_su_pbe_ot.irp.f

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eginer 2025-02-04 11:31:11 +01:00
parent 42fff288d5
commit 6611722d32
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plugins/local/basis_correction/print_su_pbe_ot.irp.f
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@ -18,6 +18,7 @@ end
subroutine print_su_pbe_ot subroutine print_su_pbe_ot
implicit none implicit none
integer :: istate integer :: istate
print*,'Two flavours of PBE functionals :'
do istate = 1, N_states do istate = 1, N_states
write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD PBE-UEG , state ',istate,' = ',ecmd_pbe_ueg_mu_of_r(istate) write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD PBE-UEG , state ',istate,' = ',ecmd_pbe_ueg_mu_of_r(istate)
enddo enddo