floquet_utils Module Reference

Floquet stuff. More...

Functions/Subroutines
subroutine, public	calculate_epsilon_derivative (qs_env, xkp, e_k, de_dk)
	...
subroutine, public	build_momentum_matrix (qs_env, xkp, momentum)
	...
subroutine, public	build_floquet_matrix (qs_env, bs_env, xkp, ispin, floquet_matrix)
	...
subroutine, public	check_floquet_conversion (qs_env, bs_env, cfm_eigenvectors)
	...
subroutine, public	calculate_floquet_spectral_function (qs_env, bs_env, floquet_matrix, a_k)
	...
subroutine, public	write_quasi_energy (qs_env, bs_env, ispin, ikp_for_file, xkp, eigenvalues)
	...
subroutine, public	write_floquet_spectral_function (qs_env, bs_env, ispin, ikp_for_file, xkp, a_k)
	...

Detailed Description

Floquet stuff.

History

Author

Shridhar Shanbhag (27.01.2026)

Function/Subroutine Documentation

calculate_epsilon_derivative()

subroutine, public floquet_utils::calculate_epsilon_derivative	(	type(qs_environment_type), pointer	qs_env,
		real(kind=dp), dimension(:, :), allocatable	xkp,
		real(kind=dp), dimension(:, :, :), optional, allocatable	e_k,
		real(kind=dp), dimension(:, :, :, :), optional, allocatable	de_dk
	)

...

Parameters

qs_env	...
xkp	...
e_k	...
de_dk	...

Definition at line 79 of file floquet_utils.F.

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build_momentum_matrix()

subroutine, public floquet_utils::build_momentum_matrix	(	type(qs_environment_type), pointer	qs_env,
		real(kind=dp), dimension(3)	xkp,
		complex(kind=dp), dimension(:, :, :, :), allocatable	momentum
	)

...

Parameters

qs_env	...
xkp	...
momentum	...

Definition at line 201 of file floquet_utils.F.

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build_floquet_matrix()

subroutine, public floquet_utils::build_floquet_matrix	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		real(kind=dp), dimension(3)	xkp,
		integer	ispin,
		type(cp_cfm_type)	floquet_matrix
	)

...

Parameters

qs_env	...
bs_env	...
xkp	...
ispin	...
floquet_matrix	...

Definition at line 376 of file floquet_utils.F.

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check_floquet_conversion()

subroutine, public floquet_utils::check_floquet_conversion	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		type(cp_cfm_type)	cfm_eigenvectors
	)

...

Parameters

qs_env	...
bs_env	...
cfm_eigenvectors	...

Definition at line 432 of file floquet_utils.F.

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calculate_floquet_spectral_function()

subroutine, public floquet_utils::calculate_floquet_spectral_function	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		type(cp_cfm_type)	floquet_matrix,
		real(kind=dp), dimension(:), allocatable	a_k
	)

...

Parameters

qs_env	...
bs_env	...
floquet_matrix	...
a_k	...

Definition at line 474 of file floquet_utils.F.

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write_quasi_energy()

subroutine, public floquet_utils::write_quasi_energy	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		integer	ispin,
		integer	ikp_for_file,
		real(kind=dp), dimension(3)	xkp,
		real(kind=dp), dimension(:), allocatable	eigenvalues
	)

...

Parameters

qs_env	...
bs_env	...
ispin	...
ikp_for_file	...
xkp	...
eigenvalues	...

Definition at line 533 of file floquet_utils.F.

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write_floquet_spectral_function()

subroutine, public floquet_utils::write_floquet_spectral_function	(	type(qs_environment_type), pointer	qs_env,
		type(post_scf_bandstructure_type), pointer	bs_env,
		integer	ispin,
		integer	ikp_for_file,
		real(kind=dp), dimension(3)	xkp,
		real(kind=dp), dimension(:), allocatable	a_k
	)

...

Parameters

qs_env	...
bs_env	...
ispin	...
ikp_for_file	...
xkp	...
a_k	...

Definition at line 607 of file floquet_utils.F.

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