smear_oct_m::smear_t Type Reference

Detailed Description

Definition at line 147 of file smear.F90.

Public Attributes
integer, public	method
	which smearing function to take More...
real(real64), public	dsmear
	the parameter defining this function More...
real(real64), public	e_fermi
	the Fermi energy More...
integer, public	el_per_state
	How many electrons can we put in each state (1 or 2) More...
real(real64), public	ef_occ
	Occupancy of the level at the Fermi energy. More...
logical, public	integral_occs
	for fixed_occ, are they all integers? More...
logical, public	photodop
	photodoping: two fermi energies More...

Private Attributes
real(real64)	dsmear_cond
	the smearing for photodoping electrons in conduction bands More...
real(real64)	e_fermi_cond
	the Fermi energy for photodoping electrons in conduction bands More...
real(real64)	ef_occ_cond
	Occupancy of the level at the Fermi energy for photodoping electrons. More...
integer	mp_n
	order of Methfessel-Paxton smearing More...
integer	fermi_count
	The number of occupied states at the fermi level. More...
integer	nik_factor
	denominator, for treating k-weights as integers More...
integer	nspins
	= 2 if spin_polarized, else 1. More...
real(real64)	nephotodop
	number of photodoping electrons put in the conduction bands More...
integer	photodop_bandmin
	the starting index of the conduction bands for photodoping More...

Member Data Documentation

method

integer, public smear_oct_m::smear_t::method

which smearing function to take

Definition at line 149 of file smear.F90.

dsmear

real(real64), public smear_oct_m::smear_t::dsmear

the parameter defining this function

Definition at line 150 of file smear.F90.

dsmear_cond

real(real64) smear_oct_m::smear_t::dsmear_cond

private

the smearing for photodoping electrons in conduction bands

Definition at line 151 of file smear.F90.

e_fermi

real(real64), public smear_oct_m::smear_t::e_fermi

the Fermi energy

Definition at line 152 of file smear.F90.

e_fermi_cond

real(real64) smear_oct_m::smear_t::e_fermi_cond

private

the Fermi energy for photodoping electrons in conduction bands

Definition at line 153 of file smear.F90.

el_per_state

integer, public smear_oct_m::smear_t::el_per_state

How many electrons can we put in each state (1 or 2)

Definition at line 155 of file smear.F90.

ef_occ

real(real64), public smear_oct_m::smear_t::ef_occ

Occupancy of the level at the Fermi energy.

Definition at line 156 of file smear.F90.

ef_occ_cond

real(real64) smear_oct_m::smear_t::ef_occ_cond

private

Occupancy of the level at the Fermi energy for photodoping electrons.

Definition at line 157 of file smear.F90.

integral_occs

logical, public smear_oct_m::smear_t::integral_occs

for fixed_occ, are they all integers?

Definition at line 158 of file smear.F90.

mp_n

integer smear_oct_m::smear_t::mp_n

private

order of Methfessel-Paxton smearing

Definition at line 159 of file smear.F90.

fermi_count

integer smear_oct_m::smear_t::fermi_count

private

The number of occupied states at the fermi level.

Definition at line 160 of file smear.F90.

nik_factor

integer smear_oct_m::smear_t::nik_factor

private

denominator, for treating k-weights as integers

Definition at line 161 of file smear.F90.

nspins

integer smear_oct_m::smear_t::nspins

private

= 2 if spin_polarized, else 1.

Definition at line 162 of file smear.F90.

photodop

logical, public smear_oct_m::smear_t::photodop

photodoping: two fermi energies

Definition at line 165 of file smear.F90.

nephotodop

real(real64) smear_oct_m::smear_t::nephotodop

private

number of photodoping electrons put in the conduction bands

Definition at line 166 of file smear.F90.

photodop_bandmin

integer smear_oct_m::smear_t::photodop_bandmin

private

the starting index of the conduction bands for photodoping

Definition at line 167 of file smear.F90.

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The documentation for this type was generated from the following file:

• states/smear.F90