m_eigenstate Module Reference

Functions/Subroutines
subroutine	calculate_eigenstate (NWF, ncalck, Na1, Na2, Na3, nkb1, nkb2, nkb3, flg_weight, a1, a2, a3, SK0, KS_R, EKS, VKS)
subroutine	search_Rmin (i, j, k, nkb1, nkb2, nkb3, a1, a2, a3, imin, jmin, kmin)
subroutine	eigenvalue (NTK, NWF, Na1, Na2, Na3, HmatR, pf, EKS, VKS)
subroutine	diagV (nm, mat, eig)
subroutine	diagN (nm, mat, eig)
subroutine	get_weightR (kgd1, kgd2, kgd3, Na1, Na2, Na3, WEIGHT_R)
subroutine	calculate_eigenstate (NWF, Na1, Na2, Na3, HKS, NTK, nkb1, nkb2, nkb3, a1, a2, a3, flg_weight, Ncalck, SK0, EKS, VKS)
subroutine	make_WEIGHT_R (nkb1, nkb2, nkb3, Na1, Na2, Na3, NTK, WEIGHT_R)

---

Function/Subroutine Documentation

subroutine m_eigenstate::calculate_eigenstate	(	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)	HKS,
		integer,intent(in)	NTK,
		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(in)	flg_weight,
		integer,intent(in)	Ncalck,
		real(8),dimension(3,ncalck),intent(in)	SK0,
		real(8),dimension(nwf,ncalck),intent(out)	EKS,
		complex(8),dimension(nwf,nwf,ncalck),intent(out)	VKS
	)

Definition at line 5 of file m_eigenstate.f90.

References eigenvalue(), make_WEIGHT_R(), and search_Rmin().

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subroutine m_eigenstate::calculate_eigenstate	(	integer,intent(in)	NWF,
		integer,intent(in)	ncalck,
		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)	flg_weight,
		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,ncalck),intent(in)	SK0,
		complex(8),dimension(nwf,nwf,-na1:na1,-na2:na2,-na3:na3),intent(in)	KS_R,
		real(8),dimension(nwf,ncalck),intent(out)	EKS,
		complex(8),dimension(nwf,nwf,ncalck),intent(out)	VKS
	)

Definition at line 4 of file m_eigenstate.f90.

References diagV(), eigenvalue(), get_weightR(), and search_Rmin().

Referenced by main(), and WANNIER().

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subroutine m_eigenstate::diagN	(	integer,intent(in)	nm,
		complex(8),dimension(nm,nm),intent(inout)	mat,
		real(8),dimension(nm),intent(out)	eig
	)

Definition at line 182 of file m_eigenstate.f90.

subroutine m_eigenstate::diagV	(	integer,intent(in)	nm,
		complex(8),dimension(nm,nm),intent(inout)	mat,
		real(8),dimension(nm),intent(out)	eig
	)

Definition at line 150 of file m_eigenstate.f90.

subroutine m_eigenstate::eigenvalue	(	integer,intent(in)	NTK,
		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)	HmatR,
		complex(8),dimension(-na1:na1,-na2:na2,-na3:na3,ntk),intent(in)	pf,
		real(8),dimension(nwf,ntk),intent(inout)	EKS,
		complex(8),dimension(nwf,nwf,ntk),intent(inout)	VKS
	)

Definition at line 97 of file m_eigenstate.f90.

References diagV().

Referenced by calculate_eigenstate().

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subroutine m_eigenstate::get_weightR	(	integer,intent(in)	kgd1,
		integer,intent(in)	kgd2,
		integer,intent(in)	kgd3,
		integer,intent(in)	Na1,
		integer,intent(in)	Na2,
		integer,intent(in)	Na3,
		real(8),dimension(-na1:na1,-na2:na2,-na3:na3),intent(out)	WEIGHT_R
	)

Definition at line 213 of file m_eigenstate.f90.

Referenced by calculate_eigenstate().

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subroutine m_eigenstate::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,
		real(8),dimension(-na1:na1,-na2:na2,-na3:na3),intent(out)	WEIGHT_R
	)

Definition at line 214 of file m_eigenstate.f90.

Referenced by calculate_eigenstate().

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subroutine m_eigenstate::search_Rmin	(	integer	i,
		integer	j,
		integer	k,
		integer	nkb1,
		integer	nkb2,
		integer	nkb3,
		real(8),dimension(3)	a1,
		real(8),dimension(3)	a2,
		real(8),dimension(3)	a3,
		integer	imin,
		integer	jmin,
		integer	kmin
	)

Definition at line 65 of file m_eigenstate.f90.