mod_bandstr Module

Functions

private function get_nFiles()

Arguments

None

Return Value integer

Subroutines

public subroutine calc_bandstr()

Arguments

None

private subroutine get_mineigw(inc, nept, ieoff, lattice, cluster, nkpt, kpoints, mineigw)

Arguments

Type	Intent	Optional	Attributes		Name
type(inc_TYPE),	intent(in)			::	inc
integer,	intent(in)			::	nept
integer,	intent(in)			::	ieoff
type(lattice_TYPE),	intent(in)			::	lattice
type(cluster_TYPE),	intent(in)			::	cluster
integer,	intent(in)			::	nkpt
double precision,	intent(in)			::	kpoints(3,nkpt)
double complex,	intent(out)			::	mineigw(nkpt,nept)

private subroutine read_kpath(nkpt_tot, kpoints)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(out)			::	nkpt_tot
double precision,	intent(out),		allocatable	::	kpoints(:,:)

private subroutine read_TBkkr_data(inc, lattice, cluster)

Arguments

Type	Intent	Optional	Attributes		Name
type(inc_TYPE),	intent(in)			::	inc
type(lattice_TYPE),	intent(out)			::	lattice
type(cluster_TYPE),	intent(out)			::	cluster

private subroutine read_TBkkr_tgmatrix(ie, inc, lattice, energy, tinvll, ginp)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ie
type(inc_TYPE),	intent(in)			::	inc
type(lattice_TYPE),	intent(in)			::	lattice
double complex,	intent(out)			::	energy
double complex,	intent(out)			::	tinvll(inc%lmmaxso,inc%lmmaxso,inc%naezd)
double complex,	intent(out)			::	ginp(inc%naclsd*inc%lmmax,inc%lmmax,inc%nclsd)