54 real(real64) :: scdm_sigma
61 type(scdm_t),
intent(inout) :: this
62 type(namespace_t),
intent(in) :: namespace
68 call parse_variable(namespace,
'SCDMsigma', 0.2_real64, this%scdm_sigma)
75#include "scdm_inc.F90"
79#include "scdm_inc.F90"
This module implements the underlying real-space grid.
This module defines the meshes, which are used in Octopus.
This module provides routines for perform the Selected Column of Density Matrix (SCDM) method This fo...
subroutine, public 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.
subroutine, public scdm_init(this, namespace)
subroutine, public 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.
This module handles spin dimensions of the states and the k-point distribution.