mod_fermisurf Module


Subroutines

public subroutine fermisurface(inc, lattice, cluster, tgmatrx, nkpts_int, kpoints_int, areas_int)

Arguments

Type IntentOptional Attributes Name
type(inc_TYPE), intent(in) :: inc
type(lattice_TYPE), intent(in) :: lattice
type(cluster_TYPE), intent(in) :: cluster
type(tgmatrx_TYPE), intent(inout) :: tgmatrx
integer, intent(out) :: nkpts_int
double precision, intent(out), allocatable :: kpoints_int(:,:)
double precision, intent(out), allocatable :: areas_int(:)

private subroutine read_fscfg(lfsurf, nCub3, nFSiter, nROOTiter, nstepsconnect, nCut_iter, roottype, rooteps, lrefine, nrefinenew)

Arguments

Type IntentOptional Attributes Name
integer, intent(out) :: lfsurf
integer, intent(out) :: nCub3(3)
integer, intent(out) :: nFSiter
integer, intent(out) :: nROOTiter
integer, intent(out), allocatable :: nstepsconnect(:)
integer, intent(out), allocatable :: nCut_iter(:)
integer, intent(out), allocatable :: roottype(:)
double precision, intent(out), allocatable :: rooteps(:)
integer, intent(out) :: lrefine
integer, intent(out) :: nrefinenew