m_dos Module Reference
Functions/Subroutines | |
| subroutine | calculate_dos (NWF, NTK, nkb1, nkb2, nkb3, electron_number, threshold_transfer, delt, delw, b1, b2, b3, SK0, EIG, VKS) |
| subroutine | est_ndosgrd (NTB, NTK, E_EIG, deltw, emin, emax, ndosgrd) |
| subroutine | make_dosgrd (emin, deltw, ndosgrd, dosgrd) |
| subroutine | est_ef (ndosgrd, deltw, electron_number, dosgrd, dos, FermiEnergy) |
| subroutine | make_efline (ndosgrd, FermiEnergy, deltw, dosgrd, dos, efline) |
| subroutine | wrt_dos (threshold_transfer, ndosgrd, dosgrd, dos, efline) |
| subroutine | wrt_pdos (NTB, ndosgrd, dosgrd, pdos, efline) |
| subroutine | calc_dos (NTB, NTK, nkb1, nkb2, nkb3, ndosgrd, dosgrd, E_EIG, SK0, delt, dmnr, dmna, b1, b2, b3, dos) |
| subroutine | calc_pdos (NTB, NTK, nkb1, nkb2, nkb3, ndosgrd, dosgrd, E_EIG, VKS, SK0, delt, dmnr, dmna, b1, b2, b3, pdos) |
| subroutine | make_index_kpt (NTK, nkb1, nkb2, nkb3, SK0, index_kpt) |
| subroutine | calculate_dos (NTB, NTK, nkb1, nkb2, nkb3, electron_number, FermiEnergy, filename, b1, b2, b3, SK0, EIG, VKS) |
| subroutine | wrt_dos (filename, ndosgrd, dosgrd, dos, efline) |
| subroutine | wrt_pdos (filename, NTB, ndosgrd, dosgrd, pdos, efline) |
Function/Subroutine Documentation
| subroutine m_dos::calc_dos | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | NTK, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ntb,ntk),intent(in) | E_EIG, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| real(8),intent(in) | delt, | |||
| real(8),intent(in) | dmnr, | |||
| real(8),intent(in) | dmna, | |||
| real(8),dimension(3),intent(in) | b1, | |||
| real(8),dimension(3),intent(in) | b2, | |||
| real(8),dimension(3),intent(in) | b3, | |||
| real(8),dimension(ndosgrd),intent(out) | dos | |||
| ) |
Definition at line 210 of file m_dos.f90.
References make_index_kpt(), m_tetrahedron::ttrhdrn_mkidx(), and m_tetrahedron::ttrhdrn_simple().
Referenced by calculate_dos().
Here is the call graph for this function:
Here is the caller graph for this function:
| subroutine m_dos::calc_pdos | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | NTK, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ntb,ntk),intent(in) | E_EIG, | |||
| complex(8),dimension(ntb,ntb,ntk),intent(in) | VKS, | |||
| real(8),dimension(3,ntk),intent(in) | SK0, | |||
| real(8),intent(in) | delt, | |||
| real(8),intent(in) | dmnr, | |||
| real(8),intent(in) | dmna, | |||
| real(8),dimension(3),intent(in) | b1, | |||
| real(8),dimension(3),intent(in) | b2, | |||
| real(8),dimension(3),intent(in) | b3, | |||
| real(8),dimension(ndosgrd,ntb),intent(out) | pdos | |||
| ) |
Definition at line 285 of file m_dos.f90.
References make_index_kpt(), m_tetrahedron::ttrhdrn_mkidx(), and m_tetrahedron::ttrhdrn_simple().
Referenced by calculate_dos().
Here is the call graph for this function:
Here is the caller graph for this function:
| subroutine m_dos::calculate_dos | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | NTK, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| real(8),intent(in) | electron_number, | |||
| real(8),intent(inout) | FermiEnergy, | |||
| character(99),intent(in) | filename, | |||
| 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,ntb,ntk),intent(in) | VKS | |||
| ) |
Definition at line 5 of file m_dos.f90.
References calc_dos(), calc_pdos(), est_ef(), est_ndosgrd(), make_dosgrd(), make_efline(), wrt_dos(), and wrt_pdos().
Here is the call graph for this function:
| subroutine m_dos::calculate_dos | ( | integer,intent(in) | NWF, | |
| integer,intent(in) | NTK, | |||
| integer,intent(in) | nkb1, | |||
| integer,intent(in) | nkb2, | |||
| integer,intent(in) | nkb3, | |||
| real(8),intent(in) | electron_number, | |||
| real(8),intent(in) | threshold_transfer, | |||
| real(8),intent(in) | delt, | |||
| real(8),intent(in) | delw, | |||
| 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(nwf,ntk),intent(in) | EIG, | |||
| complex(8),dimension(nwf,nwf,ntk),intent(in) | VKS | |||
| ) |
Definition at line 5 of file m_dos.f90.
References calc_dos(), calc_pdos(), est_ef(), est_ndosgrd(), make_dosgrd(), make_efline(), wrt_dos(), and wrt_pdos().
Referenced by main(), and WANNIER().
Here is the call graph for this function:
Here is the caller graph for this function:
| subroutine m_dos::est_ef | ( | integer,intent(in) | ndosgrd, | |
| real(8),intent(in) | deltw, | |||
| real(8),intent(in) | electron_number, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dos, | |||
| real(8),intent(out) | FermiEnergy | |||
| ) |
Definition at line 119 of file m_dos.f90.
Referenced by calculate_dos().
Here is the caller graph for this function:
| subroutine m_dos::est_ndosgrd | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | NTK, | |||
| real(8),dimension(ntb,ntk),intent(in) | E_EIG, | |||
| real(8),intent(in) | deltw, | |||
| real(8),intent(out) | emin, | |||
| real(8),intent(out) | emax, | |||
| integer,intent(out) | ndosgrd | |||
| ) |
Definition at line 74 of file m_dos.f90.
Referenced by calculate_dos().
Here is the caller graph for this function:
| subroutine m_dos::make_dosgrd | ( | real(8),intent(in) | emin, | |
| real(8),intent(in) | deltw, | |||
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(out) | dosgrd | |||
| ) |
Definition at line 105 of file m_dos.f90.
Referenced by calculate_dos().
Here is the caller graph for this function:
| subroutine m_dos::make_efline | ( | integer,intent(in) | ndosgrd, | |
| real(8),intent(in) | FermiEnergy, | |||
| real(8),intent(in) | deltw, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dos, | |||
| real(8),dimension(ndosgrd),intent(out) | efline | |||
| ) |
Definition at line 157 of file m_dos.f90.
Referenced by calculate_dos().
Here is the caller graph for this function:
| subroutine m_dos::make_index_kpt | ( | integer | NTK, | |
| integer | nkb1, | |||
| integer | nkb2, | |||
| integer | nkb3, | |||
| real(8),dimension(3,ntk) | SK0, | |||
| integer,dimension(nkb1,nkb2,nkb3) | index_kpt | |||
| ) |
| subroutine m_dos::wrt_dos | ( | character(99),intent(in) | filename, | |
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dos, | |||
| real(8),dimension(ndosgrd),intent(in) | efline | |||
| ) |
| subroutine m_dos::wrt_dos | ( | real(8),intent(in) | threshold_transfer, | |
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dos, | |||
| real(8),dimension(ndosgrd),intent(in) | efline | |||
| ) |
Definition at line 202 of file m_dos.f90.
Referenced by calculate_dos().
Here is the caller graph for this function:
| subroutine m_dos::wrt_pdos | ( | character(99),intent(in) | filename, | |
| integer,intent(in) | NTB, | |||
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd,ntb),intent(in) | pdos, | |||
| real(8),dimension(ndosgrd),intent(in) | efline | |||
| ) |
| subroutine m_dos::wrt_pdos | ( | integer,intent(in) | NTB, | |
| integer,intent(in) | ndosgrd, | |||
| real(8),dimension(ndosgrd),intent(in) | dosgrd, | |||
| real(8),dimension(ndosgrd,ntb),intent(in) | pdos, | |||
| real(8),dimension(ndosgrd),intent(in) | efline | |||
| ) |
Definition at line 224 of file m_dos.f90.
References make_index_kpt(), m_tetrahedron::ttrhdrn_mkidx(), and m_tetrahedron::ttrhdrn_simple().
Referenced by calculate_dos().
Here is the call graph for this function:
Here is the caller graph for this function:
