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scdm.F90 File Reference

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Modules

module  scdm_oct_m
 This module provides routines for perform the Selected Column of Density Matrix (SCDM) method This follows the original paper by Lin and also implement the SCDM-k version see Journal of Computational Physics 334 (2017) 1-15.
 

Data Types

type  scdm_oct_m::scdm_t
 

Functions/Subroutines

subroutine, public scdm_oct_m::scdm_init (this, namespace)
 
subroutine, public scdm_oct_m::dscdm_get_localized_states (this, namespace, space, gr, kpoints, st, scdm_st)
 Perform the SCDM method and returns a states_elec_t object with localized states. More...
 
subroutine, public scdm_oct_m::zscdm_get_localized_states (this, namespace, space, gr, kpoints, st, scdm_st)
 Perform the SCDM method and returns a states_elec_t object with localized states. More...