m_dmx Module Reference
Functions/Subroutines | |
| subroutine | calculate_dmx (NTB, NTK, NWF, nkb1, nkb2, nkb3, Na1, Na2, Na3, FermiEnergy, a1, a2, a3, b1, b2, b3, SK0, EIG, UNT) |
| subroutine | make_lat_num (Na1, Na2, Na3, NR, lat_num_a1, lat_num_a2, lat_num_a3) |
| subroutine | make_xow (nkb1, nkb2, nkb3, NTB, NTK, FermiEnergy, b1, b2, b3, SK0, E_EIG, xow) |
| subroutine | make_index_kpt (NTK, nkb1, nkb2, nkb3, SK0, index_kpt) |
| subroutine | make_WEIGHT_R (nkb1, nkb2, nkb3, Na1, Na2, Na3, NTK, flg_weight, WEIGHT_R) |
| subroutine | make_pf (Na1, Na2, Na3, nkb1, nkb2, nkb3, NTK, a1, a2, a3, SK0, pf) |
| subroutine | search_Rmin (i, j, k, nkb1, nkb2, nkb3, a1, a2, a3, imin, jmin, kmin) |
| subroutine | make_dmx (Na1, Na2, Na3, NR, NTB, NTK, NWF, nkb1, nkb2, nkb3, lat_num_a1, lat_num_a2, lat_num_a3, SK0, UNT, xow, pf, WEIGHT_R, dmx) |
| subroutine | wrt_model_dr (NWF, Na1, Na2, Na3, DR) |
Function/Subroutine Documentation
| subroutine m_dmx::calculate_dmx | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | NTK, | |||
| integer,intent(in) | NWF, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | Na1, | |||
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| real(8),intent(in) | FermiEnergy, | |||
| real(8),dimension(3),intent(in) | a1, | |||
| real(8),dimension(3),intent(in) | a2, | |||
| real(8),dimension(3),intent(in) | a3, | |||
| real(8),dimension(3),intent(in) | b1, | |||
| real(8),dimension(3),intent(in) | b2, | |||
| real(8),dimension(3),intent(in) | b3, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| real(8),dimension(ntb,ntk),intent(in) | EIG, | |||
| complex(8),dimension(ntb,nwf,ntk),intent(in) | UNT | |||
| ) |
Definition at line 5 of file m_dmx.f90.
References make_dmx(), make_lat_num(), make_pf(), make_WEIGHT_R(), make_xow(), and wrt_model_dr().
Referenced by WANNIER().
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| subroutine m_dmx::make_dmx | ( | integer,intent(in) | Na1, | |
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| integer,intent(in) | NR, | |||
| integer,intent(in) | NTB, | |||
| integer,intent(in) | NTK, | |||
| integer,intent(in) | NWF, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,dimension(nr),intent(in) | lat_num_a1, | |||
| integer,dimension(nr),intent(in) | lat_num_a2, | |||
| integer,dimension(nr),intent(in) | lat_num_a3, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| complex(8),dimension(ntb,nwf,ntk),intent(in) | UNT, | |||
| real(8),dimension(ntb,nkb1,nkb2,nkb3),intent(in) | xow, | |||
| complex(8),dimension(-na1:na1,-na2:na2,-na3:na3,ntk),intent(in) | pf, | |||
| real(8),dimension(-na1:na1,-na2:na2,-na3:na3),intent(in) | WEIGHT_R, | |||
| complex(8),dimension(nwf,nwf,-na1:na1,-na2:na2,-na3:na3),intent(out) | dmx | |||
| ) |
Definition at line 305 of file m_dmx.f90.
References make_index_kpt().
Referenced by calculate_dmx().
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| subroutine m_dmx::make_index_kpt | ( | integer,intent(in) | NTK, | |
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| integer,dimension(nkb1,nkb2,nkb3),intent(out) | index_kpt | |||
| ) |
| subroutine m_dmx::make_lat_num | ( | integer,intent(in) | Na1, | |
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| integer,intent(in) | NR, | |||
| integer,dimension(nr),intent(out) | lat_num_a1, | |||
| integer,dimension(nr),intent(out) | lat_num_a2, | |||
| integer,dimension(nr),intent(out) | lat_num_a3 | |||
| ) |
Definition at line 60 of file m_dmx.f90.
Referenced by calculate_dmx().
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| subroutine m_dmx::make_pf | ( | integer,intent(in) | Na1, | |
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | NTK, | |||
| real(8),dimension(3),intent(in) | a1, | |||
| real(8),dimension(3),intent(in) | a2, | |||
| real(8),dimension(3),intent(in) | a3, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| complex(8),dimension(-na1:na1,-na2:na2,-na3:na3,ntk),intent(out) | pf | |||
| ) |
Definition at line 246 of file m_dmx.f90.
References search_Rmin().
Referenced by calculate_dmx().
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| subroutine m_dmx::make_WEIGHT_R | ( | integer,intent(in) | nkb1, | |
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | Na1, | |||
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| integer,intent(in) | NTK, | |||
| integer,intent(in) | flg_weight, | |||
| real(8),dimension(-na1:na1,-na2:na2,-na3:na3),intent(out) | WEIGHT_R | |||
| ) |
Definition at line 214 of file m_dmx.f90.
Referenced by calculate_dmx().
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| subroutine m_dmx::make_xow | ( | integer,intent(in) | nkb1, | |
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | NTB, | |||
| integer,intent(in) | NTK, | |||
| real(8),intent(in) | FermiEnergy, | |||
| real(8),dimension(3),intent(in) | b1, | |||
| real(8),dimension(3),intent(in) | b2, | |||
| real(8),dimension(3),intent(in) | b3, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| real(8),dimension(ntb,ntk),intent(in) | E_EIG, | |||
| real(8),dimension(ntb,nkb1,nkb2,nkb3),intent(out) | xow | |||
| ) |
Definition at line 82 of file m_dmx.f90.
References make_index_kpt(), m_tetrainteg::ttritg_mkidx(), and m_tetrainteg::ttritg_sum().
Referenced by calculate_dmx().
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| subroutine m_dmx::search_Rmin | ( | integer,intent(in) | i, | |
| integer,intent(in) | j, | |||
| integer,intent(in) | k, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| real(8),dimension(3),intent(in) | a1, | |||
| real(8),dimension(3),intent(in) | a2, | |||
| real(8),dimension(3),intent(in) | a3, | |||
| integer,intent(out) | imin, | |||
| integer,intent(out) | jmin, | |||
| integer,intent(out) | kmin | |||
| ) |
| subroutine m_dmx::wrt_model_dr | ( | integer,intent(in) | NWF, | |
| integer,intent(in) | Na1, | |||
| integer,intent(in) | Na2, | |||
| integer,intent(in) | Na3, | |||
| complex(8),dimension(nwf,nwf,-na1:na1,-na2:na2,-na3:na3),intent(in) | DR | |||
| ) |
Definition at line 386 of file m_dmx.f90.
Referenced by calculate_dmx().
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