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Fix missing argument in on_hrmt_diag_split_degen_s_inv_half

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This commit is contained in:
Anthony Scemama 2023-01-31 11:22:51 +01:00
parent b817f87fd4
commit 0fbd66d3ec
1 changed files with 1 additions and 1 deletions
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src/non_hermit_dav/new_routines.irp.f
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@ -377,7 +377,7 @@ subroutine non_hrmt_diag_split_degen_s_inv_half(n, A, leigvec, reigvec, n_real_e
print*,'New vectors not bi-orthonormals at ', accu_nd print*,'New vectors not bi-orthonormals at ', accu_nd
call get_inv_half_nonsymmat_diago(S, n, S_nh_inv_half, complex_root) call get_inv_half_nonsymmat_diago(S, n, S_nh_inv_half, complex_root)
if(complex_root)then if(complex_root)then
call impose_biorthog_qr(n, n, leigvec_tmp, reigvec_tmp) ! bi-orthonormalization using QR call impose_biorthog_qr(n, n, leigvec_tmp, reigvec_tmp, S) ! bi-orthonormalization using QR
else else
print*,'S^{-1/2} exists !!' print*,'S^{-1/2} exists !!'
call bi_ortho_s_inv_half(n,leigvec_tmp,reigvec_tmp,S_nh_inv_half) ! use of S^{-1/2} bi-orthonormalization call bi_ortho_s_inv_half(n,leigvec_tmp,reigvec_tmp,S_nh_inv_half) ! use of S^{-1/2} bi-orthonormalization