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tc provide problem solved
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@ -69,7 +69,7 @@ subroutine routine_diag()
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print*,''
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print*,'******************************************************'
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print*,'Excitation energies (au) (eV)'
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print*,'TC Excitation energies (au) (eV)'
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do i = 2, N_states
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dE = eigval_right_tc_bi_orth(i) - eigval_right_tc_bi_orth(1)
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print*, i, dE, dE/0.0367502d0
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@ -12,6 +12,11 @@
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double precision :: hmono,htwoe,hthree,htot
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PROVIDE N_int
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i = 1
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j = 1
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call htilde_mu_mat_bi_ortho(psi_det(1,1,j), psi_det(1,1,i), N_int, hmono, htwoe, hthree, htot)
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!$OMP PARALLEL DO SCHEDULE(GUIDED) DEFAULT(NONE) PRIVATE(i,j,hmono, htwoe, hthree, htot) &
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!$OMP SHARED (N_det, psi_det, N_int,htilde_matrix_elmt_bi_ortho)
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do i = 1, N_det
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