Documentation for module bse

Rountines for GW + Bethe-Salpeter for computing electronic excitations

source: bse.F
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public Subroutines/Functions:

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SUBROUTINEdo_subspace_iterations(b_bar_ijq_bse_local, b_abq_bse_local, b_bar_iaq_bse_local, b_iaq_bse_local, homo, virtual, num_z_vectors, max_iter, threshold_min_trans, eigenval, para_env)

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Arguments:
REAL(dp),
ALLOCATABLE
:: b_bar_ijq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_abq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_bar_iaq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_iaq_bse_local(:,:,:) ...
INTEGER
:: homo ...
INTEGER
:: virtual ...
INTEGER
:: num_z_vectors ...
INTEGER
:: max_iter ...
REAL(dp)
:: threshold_min_trans ...
REAL(dp)
:: eigenval(:) ...
POINTER
:: para_env ...

SUBROUTINEmult_b_with_w_and_fill_local_3c_arrays(fm_mat_s_ij_bse, fm_mat_s_ab_bse, fm_mat_s, fm_mat_q_static_bse, fm_mat_q_static_bse_gemm, b_bar_ijq_bse_local, b_abq_bse_local, b_bar_iaq_bse_local, b_iaq_bse_local, dimen_ri, homo, virtual, dimen_ia, starts_array, ends_array, sizes_array, color_sub, para_env)

...

Arguments:
TYPE(cp_fm_type),
POINTER
:: fm_mat_s_ij_bse ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_s_ab_bse ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_s ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_q_static_bse ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_q_static_bse_gemm ...
REAL(dp),
ALLOCATABLE
:: b_bar_ijq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_abq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_bar_iaq_bse_local(:,:,:) ...
REAL(dp),
ALLOCATABLE
:: b_iaq_bse_local(:,:,:) ...
INTEGER
:: dimen_ri ...
INTEGER
:: homo ...
INTEGER
:: virtual ...
INTEGER
:: dimen_ia ...
INTEGER,
ALLOCATABLE
:: starts_array(:) ...
INTEGER,
ALLOCATABLE
:: ends_array(:) ...
INTEGER,
ALLOCATABLE
:: sizes_array(:) ...
INTEGER
:: color_sub ...
POINTER
:: para_env ...