Add name. More...

Data Types
type	xlk_type

Functions/Subroutines
subroutine, public	prg_parse_xlkernel (input, filename)
	The parser for the mixer routines. More...

subroutine, public	prg_fermi (D0, QQ, ee, gap, Fe_vec, mu0, H, Z, Nocc, T, OccErrLim, MaxIt, HDIM)

subroutine, public	prg_kernel_fermi_full (KK, JJ, D0, mu0, mu1, T, RX, RY, RZ, LBox, Hubbard_U, Element_Type, Nr_atoms, MaxIt, eps, m, HDIM, Max_Nr_Neigh, Coulomb_acc, TIMERATIO, nnRx, nnRy, nnRz, nrnnlist, nnType, H_INDEX_START, H_INDEX_END, H, S, Z, Nocc, Znuc, QQ, ee, Fe_vec)

subroutine, public	prg_v_kernel_fermi (D0, dq_dv, v, mu0, mu1, T, RX, RY, RZ, LBox, Hubbard_U, Element_Type, Nr_atoms, MaxIt, eps, m, HDIM, Max_Nr_Neigh, Coulomb_acc, TIMERATIO, nnRx, nnRy, nnRz, nrnnlist, nnType, H_INDEX_START, H_INDEX_END, H, S, Z, Nocc, Znuc, QQ, ee, Fe_vec)

subroutine, private	prg_get_deriv_finite_temp (P1, H0, H1, Nocc, T, Q, ev, fe, mu0, eps, HDIM)

subroutine, private	prg_mmult (alpha, A, B, beta, C, TA, TB, HDIM)

subroutine, private	prg_eig (A, Q, ee, type, HDIM)

subroutine, private	prg_inv (X, XI, HDIM)

subroutine, public	prg_rank1 (verbose)
	Rank1 kernel .... More...

Variables
integer, parameter	dp = kind(1.0d0)

Detailed Description

Add name.

XL kernel (To be integrated)

Note: This module is still not functional

Function/Subroutine Documentation

◆ prg_eig()

subroutine, private prg_xlkernel_mod::prg_eig	(	real(prec), dimension(hdim,hdim), intent(in)	A,
		real(prec), dimension(hdim,hdim), intent(out)	Q,
		real(prec), dimension(hdim), intent(out)	ee,
		character(1), intent(in)	type,
		integer(prec), intent(in)	HDIM
	)

private

Definition at line 384 of file prg_xlkernel_mod.F90.

◆ prg_fermi()

subroutine, public prg_xlkernel_mod::prg_fermi	(	real(prec), dimension(hdim,hdim), intent(out)	D0,
		real(prec), dimension(hdim,hdim), intent(out)	QQ,
		real(prec), dimension(hdim), intent(out)	ee,
		real(prec), intent(out)	gap,
		real(prec), dimension(hdim), intent(out)	Fe_vec,
		real(prec), intent(inout)	mu0,
		real(prec), dimension(hdim,hdim), intent(in)	H,
		real(prec), dimension(hdim,hdim), intent(in)	Z,
		integer(prec), intent(in)	Nocc,
		real(prec), intent(in)	T,
		real(prec), intent(in)	OccErrLim,
		integer(prec), intent(in)	MaxIt,
		integer(prec), intent(in)	HDIM
	)

Definition at line 88 of file prg_xlkernel_mod.F90.

◆ prg_get_deriv_finite_temp()

subroutine, private prg_xlkernel_mod::prg_get_deriv_finite_temp	(	real(prec), dimension(hdim,hdim), intent(out)	P1,
		real(prec), dimension(hdim,hdim), intent(in)	H0,
		real(prec), dimension(hdim,hdim), intent(in)	H1,
		integer(prec), intent(in)	Nocc,
		real(prec), intent(in)	T,
		real(prec), dimension(hdim,hdim), intent(in)	Q,
		real(prec), dimension(hdim), intent(in)	ev,
		real(prec), dimension(hdim), intent(in)	fe,
		real(prec), intent(inout)	mu0,
		real(prec), intent(in)	eps,
		integer(prec), intent(in)	HDIM
	)

private

Definition at line 306 of file prg_xlkernel_mod.F90.

◆ prg_inv()

subroutine, private prg_xlkernel_mod::prg_inv	(	real(prec), dimension(hdim,hdim), intent(in)	X,
		real(prec), dimension(hdim,hdim), intent(out)	XI,
		integer(prec), intent(in)	HDIM
	)

private

Definition at line 411 of file prg_xlkernel_mod.F90.

◆ prg_kernel_fermi_full()

subroutine, public prg_xlkernel_mod::prg_kernel_fermi_full	(	real(prec), dimension(nr_atoms,nr_atoms), intent(out)	KK,
		real(prec), dimension(nr_atoms,nr_atoms), intent(out)	JJ,
		real(prec), dimension(hdim,hdim), intent(inout)	D0,
		real(prec), intent(inout)	mu0,
		real(prec), intent(inout)	mu1,
		real(prec), intent(in)	T,
		real(prec), dimension(nr_atoms), intent(in)	RX,
		real(prec), dimension(nr_atoms), intent(in)	RY,
		real(prec), dimension(nr_atoms), intent(in)	RZ,
		real(prec), dimension(3), intent(in)	LBox,
		real(prec), dimension(nr_atoms), intent(in)	Hubbard_U,
		character(10), dimension(nr_atoms), intent(in)	Element_Type,
		integer(prec), intent(in)	Nr_atoms,
		integer(prec), intent(in)	MaxIt,
		real(prec), intent(in)	eps,
		integer(prec), intent(in)	m,
		integer(prec), intent(in)	HDIM,
		integer(prec), intent(in)	Max_Nr_Neigh,
		real(prec), intent(in)	Coulomb_acc,
		real(prec), intent(in)	TIMERATIO,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRx,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRy,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRz,
		integer(prec), dimension(nr_atoms), intent(in)	nrnnlist,
		integer(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnType,
		integer(prec), dimension(nr_atoms), intent(in)	H_INDEX_START,
		integer(prec), dimension(nr_atoms), intent(in)	H_INDEX_END,
		real(prec), dimension(hdim,hdim), intent(in)	H,
		real(prec), dimension(hdim,hdim), intent(in)	S,
		real(prec), dimension(hdim,hdim), intent(in)	Z,
		integer(prec), intent(in)	Nocc,
		real(prec), dimension(nr_atoms), intent(in)	Znuc,
		real(prec), dimension(hdim,hdim), intent(in)	QQ,
		real(prec), dimension(hdim), intent(in)	ee,
		real(prec), dimension(hdim), intent(in)	Fe_vec
	)

Definition at line 142 of file prg_xlkernel_mod.F90.

◆ prg_mmult()

subroutine, private prg_xlkernel_mod::prg_mmult	(	real(prec), intent(in)	alpha,
		real(prec), dimension(hdim,hdim), intent(in)	A,
		real(prec), dimension(hdim,hdim), intent(in)	B,
		real(prec), intent(in)	beta,
		real(prec), dimension(hdim,hdim), intent(inout)	C,
		character(1), intent(in)	TA,
		character(1), intent(in)	TB,
		integer(prec), intent(in)	HDIM
	)

private

Definition at line 366 of file prg_xlkernel_mod.F90.

◆ prg_parse_xlkernel()

subroutine, public prg_xlkernel_mod::prg_parse_xlkernel	(	type(xlk_type), intent(inout)	input,
		character(len=*)	filename
	)

The parser for the mixer routines.

Definition at line 39 of file prg_xlkernel_mod.F90.

◆ prg_rank1()

subroutine, public prg_xlkernel_mod::prg_rank1 ( integer, intent(in) verbose )

Rank1 kernel ....

Parameters

param1	..
verbose	Different levels of verbosity.

Definition at line 439 of file prg_xlkernel_mod.F90.

◆ prg_v_kernel_fermi()

subroutine, public prg_xlkernel_mod::prg_v_kernel_fermi	(	real(prec), dimension(hdim,hdim), intent(inout)	D0,
		real(prec), dimension(nr_atoms), intent(out)	dq_dv,
		real(prec), dimension(nr_atoms), intent(in)	v,
		real(prec), intent(inout)	mu0,
		real(prec), intent(inout)	mu1,
		real(prec), intent(in)	T,
		real(prec), dimension(nr_atoms), intent(in)	RX,
		real(prec), dimension(nr_atoms), intent(in)	RY,
		real(prec), dimension(nr_atoms), intent(in)	RZ,
		real(prec), dimension(3), intent(in)	LBox,
		real(prec), dimension(nr_atoms), intent(in)	Hubbard_U,
		character(10), dimension(nr_atoms), intent(in)	Element_Type,
		integer(prec), intent(in)	Nr_atoms,
		integer(prec), intent(in)	MaxIt,
		real(prec), intent(in)	eps,
		integer(prec), intent(in)	m,
		integer(prec), intent(in)	HDIM,
		integer(prec), intent(in)	Max_Nr_Neigh,
		real(prec), intent(in)	Coulomb_acc,
		real(prec), intent(in)	TIMERATIO,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRx,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRy,
		real(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnRz,
		integer(prec), dimension(nr_atoms), intent(in)	nrnnlist,
		integer(prec), dimension(nr_atoms,max_nr_neigh), intent(in)	nnType,
		integer(prec), dimension(nr_atoms), intent(in)	H_INDEX_START,
		integer(prec), dimension(nr_atoms), intent(in)	H_INDEX_END,
		real(prec), dimension(hdim,hdim), intent(in)	H,
		real(prec), dimension(hdim,hdim), intent(in)	S,
		real(prec), dimension(hdim,hdim), intent(in)	Z,
		integer(prec), intent(in)	Nocc,
		real(prec), dimension(nr_atoms), intent(in)	Znuc,
		real(prec), dimension(hdim,hdim), intent(in)	QQ,
		real(prec), dimension(hdim), intent(in)	ee,
		real(prec), dimension(hdim), intent(in)	Fe_vec
	)

Definition at line 233 of file prg_xlkernel_mod.F90.

Variable Documentation

◆ dp

integer, parameter prg_xlkernel_mod::dp = kind(1.0d0)

private

Definition at line 16 of file prg_xlkernel_mod.F90.

Data Types

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ prg_eig()

◆ prg_fermi()

◆ prg_get_deriv_finite_temp()

◆ prg_inv()

◆ prg_kernel_fermi_full()

◆ prg_mmult()

◆ prg_parse_xlkernel()

◆ prg_rank1()

◆ prg_v_kernel_fermi()

Variable Documentation

◆ dp