wannier_states Module Reference

Routines for the calculation of wannier states. More...

Functions/Subroutines
subroutine, public	construct_wannier_states (mo_localized, hks, qs_env, loc_print_section, wanniercentres, ns, states)
	constructs wannier states. mo_localized should not be overwritten!

Detailed Description

Routines for the calculation of wannier states.

Author

Alin M Elena

Function/Subroutine Documentation

construct_wannier_states()

subroutine, public wannier_states::construct_wannier_states	(	type(cp_fm_type), intent(in)	mo_localized,
		type(dbcsr_type), pointer	hks,
		type(qs_environment_type), pointer	qs_env,
		type(section_vals_type), pointer	loc_print_section,
		type(wannier_centres_type), intent(inout)	wanniercentres,
		integer, intent(in)	ns,
		integer, dimension(:), intent(in), pointer	states
	)

constructs wannier states. mo_localized should not be overwritten!

Parameters

mo_localized	...
Hks	...
qs_env	...
loc_print_section	...
WannierCentres	...
ns	...
states	...

History

• Printout Wannier states in AO basis (11.09.2025, H. Elgabarty)

Definition at line 89 of file wannier_states.F.

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