kdotp_oct_m::kdotp_t Type Reference

Detailed Description

Definition at line 158 of file kdotp.F90.

Private Attributes
class(perturbation_t), pointer	pert => null()
class(perturbation_t), pointer	pert2 => null()
real(real64), dimension(:,:,:,:), allocatable	eff_mass_inv
	inverse effective-mass tensor (idir1, idir2, ist, ik) More...
real(real64), dimension(:,:,:), allocatable	velocity
	group velocity vector (idir, ist, ik) More...
type(lr_t), dimension(:,:), allocatable	lr
	linear response for (periodic_dim,1) second index is dummy; should only be 1 for compatibility with em_resp routines More...
type(lr_t), dimension(:,:,:), allocatable	lr2
	second-order response for (periodic_dim,periodic_dim,1) More...
logical	converged
	is converged? More...
integer	occ_solution_method
	how to get occupied components of response More...
real(real64)	degen_thres
	maximum energy difference to be considered degenerate More...
real(real64)	eta
	imaginary freq. added to Sternheimer eqn. More...

Member Data Documentation

pert

class(perturbation_t), pointer kdotp_oct_m::kdotp_t::pert => null()

private

Definition at line 160 of file kdotp.F90.

pert2

class(perturbation_t), pointer kdotp_oct_m::kdotp_t::pert2 => null()

private

Definition at line 161 of file kdotp.F90.

eff_mass_inv

real(real64), dimension(:,:,:,:), allocatable kdotp_oct_m::kdotp_t::eff_mass_inv

private

inverse effective-mass tensor (idir1, idir2, ist, ik)

Definition at line 163 of file kdotp.F90.

velocity

real(real64), dimension(:,:,:), allocatable kdotp_oct_m::kdotp_t::velocity

private

group velocity vector (idir, ist, ik)

Definition at line 165 of file kdotp.F90.

lr

type(lr_t), dimension(:,:), allocatable kdotp_oct_m::kdotp_t::lr

private

linear response for (periodic_dim,1) second index is dummy; should only be 1 for compatibility with em_resp routines

Definition at line 167 of file kdotp.F90.

lr2

type(lr_t), dimension(:,:,:), allocatable kdotp_oct_m::kdotp_t::lr2

private

second-order response for (periodic_dim,periodic_dim,1)

Definition at line 171 of file kdotp.F90.

converged

logical kdotp_oct_m::kdotp_t::converged

private

is converged?

Definition at line 174 of file kdotp.F90.

occ_solution_method

integer kdotp_oct_m::kdotp_t::occ_solution_method

private

how to get occupied components of response

Definition at line 175 of file kdotp.F90.

degen_thres

real(real64) kdotp_oct_m::kdotp_t::degen_thres

private

maximum energy difference to be considered degenerate

Definition at line 176 of file kdotp.F90.

eta

real(real64) kdotp_oct_m::kdotp_t::eta

private

imaginary freq. added to Sternheimer eqn.

Definition at line 177 of file kdotp.F90.

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

• sternheimer/kdotp.F90