smear.F90 File Reference

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Modules
module	smear_oct_m

Data Types
type	smear_oct_m::smear_t

Functions/Subroutines
subroutine, public	smear_oct_m::smear_init (this, namespace, ispin, fixed_occ, integral_occs, kpoints)
subroutine, public	smear_oct_m::smear_copy (to, from)
subroutine, public	smear_oct_m::smear_find_fermi_energy (this, namespace, eigenvalues, occupations, qtot, nik, nst, kweights)
subroutine	smear_oct_m::bisection_find_fermi_energy (this, namespace, dsmear_in, tol, eigenvalues, kweights, nik, q_in, start_band, end_band, e_fermi, ef_occ)
subroutine, public	smear_oct_m::smear_fill_occupations (this, eigenvalues, occupations, nik, nst)
real(real64) function, public	smear_oct_m::smear_calc_entropy (this, eigenvalues, nik, nst, kweights, occ)
real(real64) function, public	smear_oct_m::smear_delta_function (this, xx)
real(real64) function, public	smear_oct_m::smear_step_function (this, xx)
real(real64) function, public	smear_oct_m::smear_entropy_function (this, xx)
	This function is defined as \( \int_{-infty}^x y delta(y) dy \). More...
logical pure function, public	smear_oct_m::smear_is_semiconducting (this)
subroutine, public	smear_oct_m::smear_write_info (this, namespace, iunit)

Variables
integer, parameter, public	smear_oct_m::smear_semiconductor = 1
integer, parameter, public	smear_oct_m::smear_fermi_dirac = 2
integer, parameter, public	smear_oct_m::smear_cold = 3
integer, parameter, public	smear_oct_m::smear_methfessel_paxton = 4
integer, parameter, public	smear_oct_m::smear_spline = 5
integer, parameter, public	smear_oct_m::smear_fixed_occ = 6
real(real64), parameter	smear_oct_m::tol_smear = 1e-6_real64