m_rd_dat_wfn Module Reference

Functions/Subroutines

subroutine rd_dat_symmetry
subroutine rd_dat_bandcalc
subroutine rd_dat_lattice
subroutine rd_dat_sample_k
subroutine rd_dat_nkm
subroutine rd_dat_kg
subroutine rd_dat_eigenvalue
subroutine rd_dat_wavefunction

Variables

integer nsymq
integer nnp
integer, dimension(:,:,:),
allocatable 		rg
integer, dimension(:,:),
allocatable 		pg
real(8), dimension(:,:,:),
allocatable 		rginv
real(8) Ecut_for_psi
real(8) FermiEnergy
real(8) Etot
real(8), dimension(3) a1
real(8), dimension(3) a2
real(8), dimension(3) a3
real(8), dimension(3) b1
real(8), dimension(3) b2
real(8), dimension(3) b3
real(8) VOLUME
real(8) a
real(8) b
real(8) c
real(8) alp
real(8) bet
real(8) gmm
integer Nk_irr
integer NTK
integer nkb1
integer nkb2
integer nkb3
integer Na1
integer Na2
integer Na3
real(8), allocatable SKI
real(8), allocatable SK0
integer, dimension(:), allocatable numirr
integer, dimension(:), allocatable numrot
integer, dimension(:), allocatable trs
integer, allocatable RW
integer, allocatable numMK
integer NTB
real(8), allocatable E_EIGI
integer NTG
integer, allocatable NGI
integer L1
integer L2
integer L3
integer, allocatable KGI
integer, allocatable KG0
integer, allocatable NG0
integer, dimension(:,:,:,:),
allocatable 		packing
integer nwx2
integer nwy2
integer nwz2
integer ncomp
complex(4), allocatable CIR
complex(8), allocatable CIRtmp

Function/Subroutine Documentation

subroutine m_rd_dat_wfn::rd_dat_bandcalc (  ) 

Definition at line 89 of file m_rd_dat_wfn.f90.

References Ecut_for_psi, and Etot.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_eigenvalue (  ) 

Definition at line 340 of file m_rd_dat_wfn.f90.

References E_EIGI, and NTB.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_kg (  ) 

Definition at line 212 of file m_rd_dat_wfn.f90.

References Ecut_for_psi, KG0, KGI, L1, L2, L3, make_KG0(), NG0, NGI, NTG, numirr, numrot, nwx2, nwy2, nwz2, packing, RW, and trs.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_lattice (  ) 

Definition at line 101 of file m_rd_dat_wfn.f90.

References bet, est_latparam(), gmm, OUTER_PRODUCT(), and VOLUME.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_nkm (  ) 

Definition at line 199 of file m_rd_dat_wfn.f90.

References NGI, and NTG.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_sample_k (  ) 

Definition at line 121 of file m_rd_dat_wfn.f90.

References est_nkbi(), est_NTK(), kcheck(), kcheck_trs(), numirr, numMK, numrot, RW, and trs.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_symmetry (  ) 

Definition at line 59 of file m_rd_dat_wfn.f90.

References invmat(), nnp, pg, and rginv.

Referenced by GW().

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subroutine m_rd_dat_wfn::rd_dat_wavefunction (  ) 

Definition at line 354 of file m_rd_dat_wfn.f90.

References CIR, CIRtmp, ncomp, NGI, NTB, and NTG.

Referenced by GW().

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Variable Documentation

real(8) m_rd_dat_wfn::a

Definition at line 23 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::a1

Definition at line 21 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::a2

Definition at line 21 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::a3

Definition at line 21 of file m_rd_dat_wfn.f90.

real(8) m_rd_dat_wfn::alp

Definition at line 23 of file m_rd_dat_wfn.f90.

real(8) m_rd_dat_wfn::b

Definition at line 23 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::b1

Definition at line 22 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::b2

Definition at line 22 of file m_rd_dat_wfn.f90.

real(8),dimension(3) m_rd_dat_wfn::b3

Definition at line 22 of file m_rd_dat_wfn.f90.

real(8) m_rd_dat_wfn::bet

Definition at line 23 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_lattice().

real(8) m_rd_dat_wfn::c

Definition at line 23 of file m_rd_dat_wfn.f90.

complex(4),allocatable m_rd_dat_wfn::CIR

Definition at line 56 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_wavefunction().

complex(8),allocatable m_rd_dat_wfn::CIRtmp

Definition at line 57 of file m_rd_dat_wfn.f90.

Referenced by rd_dat_wavefunction().

real(8),allocatable m_rd_dat_wfn::E_EIGI

Definition at line 41 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_eigenvalue().

real(8) m_rd_dat_wfn::Ecut_for_psi

Definition at line 17 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_bandcalc(), rd_dat_kg(), and m_rd_dat_eps::rd_dat_sq().

real(8) m_rd_dat_wfn::Etot

Definition at line 19 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_bandcalc().

real(8) m_rd_dat_wfn::FermiEnergy

Definition at line 18 of file m_rd_dat_wfn.f90.

real(8) m_rd_dat_wfn::gmm

Definition at line 23 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_lattice().

integer,allocatable m_rd_dat_wfn::KG0

Definition at line 48 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer,allocatable m_rd_dat_wfn::KGI

Definition at line 47 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::L1

Definition at line 46 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::L2

Definition at line 46 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::L3

Definition at line 46 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::Na1

Definition at line 29 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::Na2

Definition at line 30 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::Na3

Definition at line 31 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::ncomp

Definition at line 54 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_wavefunction().

integer,allocatable m_rd_dat_wfn::NG0

Definition at line 49 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), and m_rd_dat_wan::rd_dat_wan().

integer,allocatable m_rd_dat_wfn::NGI

Definition at line 44 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), rd_dat_nkm(), and rd_dat_wavefunction().

integer m_rd_dat_wfn::Nk_irr

Definition at line 25 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::nkb1

Definition at line 26 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::nkb2

Definition at line 27 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::nkb3

Definition at line 28 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::nnp

Definition at line 12 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_symmetry().

integer m_rd_dat_wfn::nsymq

Definition at line 12 of file m_rd_dat_wfn.f90.

integer m_rd_dat_wfn::NTB

Definition at line 40 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_eigenvalue(), and rd_dat_wavefunction().

integer m_rd_dat_wfn::NTG

Definition at line 43 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), rd_dat_nkm(), m_rd_dat_eps::rd_dat_sq(), m_rd_dat_wan::rd_dat_wan(), and rd_dat_wavefunction().

integer m_rd_dat_wfn::NTK

Definition at line 25 of file m_rd_dat_wfn.f90.

integer,dimension(:),allocatable m_rd_dat_wfn::numirr

Definition at line 34 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), and rd_dat_sample_k().

integer,allocatable m_rd_dat_wfn::numMK

Definition at line 38 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_sample_k().

integer,dimension(:),allocatable m_rd_dat_wfn::numrot

Definition at line 35 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), and rd_dat_sample_k().

integer m_rd_dat_wfn::nwx2

Definition at line 52 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::nwy2

Definition at line 52 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer m_rd_dat_wfn::nwz2

Definition at line 52 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer,dimension(:,:,:,:),allocatable m_rd_dat_wfn::packing

Definition at line 50 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_kg().

integer,dimension(:,:),allocatable m_rd_dat_wfn::pg

Definition at line 14 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_symmetry().

integer,dimension(:,:,:),allocatable m_rd_dat_wfn::rg

Definition at line 13 of file m_rd_dat_wfn.f90.

real(8),dimension(:,:,:),allocatable m_rd_dat_wfn::rginv

Definition at line 15 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_symmetry().

integer,allocatable m_rd_dat_wfn::RW

Definition at line 37 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), and rd_dat_sample_k().

real(8),allocatable m_rd_dat_wfn::SK0

Definition at line 33 of file m_rd_dat_wfn.f90.

real(8),allocatable m_rd_dat_wfn::SKI

Definition at line 32 of file m_rd_dat_wfn.f90.

integer,dimension(:),allocatable m_rd_dat_wfn::trs

Definition at line 36 of file m_rd_dat_wfn.f90.

Referenced by GW(), rd_dat_kg(), and rd_dat_sample_k().

real(8) m_rd_dat_wfn::VOLUME

Definition at line 23 of file m_rd_dat_wfn.f90.

Referenced by GW(), and rd_dat_lattice().

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