elec_matrix_elements.F90 File Reference

Go to the source code of this file.

Modules
module	elec_matrix_elements_oct_m

Data Types
type	elec_matrix_elements_oct_m::elec_matrix_elements_t

Functions/Subroutines
subroutine	elec_matrix_elements_oct_m::elec_matrix_elements_init (this, grid, space, states, st_start, st_end)
	Initialize the elec_matrix_elements object. More...
subroutine	elec_matrix_elements_oct_m::elec_matrix_elements_finalize (this)
subroutine	elec_matrix_elements_oct_m::elec_momentum_me (this, kpoints, momentum)
subroutine	elec_matrix_elements_oct_m::elec_angular_momentum_me (this, ll, l2)
subroutine	elec_matrix_elements_oct_m::zelec_momentum_me (this, kpoints, momentum)
	The routine calculates the expectation value of the momentum operator. More...
subroutine	elec_matrix_elements_oct_m::zelec_angular_momentum_me (this, ll, l2)
	It calculates the expectation value of the angular momentum of the states. If l2 is passed, it also calculates the expectation value of the square of the angular momentum of the state phi. More...
subroutine	elec_matrix_elements_oct_m::zelec_ks_multipoles_3d_me (this, ll, mm, ik, elements)
	Prints out the multipole matrix elements between KS states. More...
subroutine	elec_matrix_elements_oct_m::zelec_ks_multipoles_2d_me (this, ll, ik, elements)
	Prints out the dipole matrix elements (X or Y) between single orbitals, in the 1d case. More...
subroutine	elec_matrix_elements_oct_m::zelec_ks_multipoles_1d_me (this, ll, ik, elements)
	Prints out the multipole matrix elements (X**l) between single orbitals, in the 1d case. More...
subroutine	elec_matrix_elements_oct_m::zelec_dipole_me (this, namespace, hm, ions, ik, elements)
	Computes the dipole matrix elements between KS states. More...
subroutine	elec_matrix_elements_oct_m::zcalculate_expectation_values_matrix (namespace, hm, der, st, eigen, terms, diagonal_states)
subroutine	elec_matrix_elements_oct_m::zelec_one_body_me (this, namespace, hm, iindex, jindex, oneint)
subroutine	elec_matrix_elements_oct_m::zelec_two_body_me (this, namespace, kpoints, psolver, st_min, st_max, iindex, jindex, kindex, lindex, twoint, phase, singularity, exc_k)
subroutine	elec_matrix_elements_oct_m::delec_momentum_me (this, kpoints, momentum)
	The routine calculates the expectation value of the momentum operator. More...
subroutine	elec_matrix_elements_oct_m::delec_angular_momentum_me (this, ll, l2)
	It calculates the expectation value of the angular momentum of the states. If l2 is passed, it also calculates the expectation value of the square of the angular momentum of the state phi. More...
subroutine	elec_matrix_elements_oct_m::delec_ks_multipoles_3d_me (this, ll, mm, ik, elements)
	Prints out the multipole matrix elements between KS states. More...
subroutine	elec_matrix_elements_oct_m::delec_ks_multipoles_2d_me (this, ll, ik, elements)
	Prints out the dipole matrix elements (X or Y) between single orbitals, in the 1d case. More...
subroutine	elec_matrix_elements_oct_m::delec_ks_multipoles_1d_me (this, ll, ik, elements)
	Prints out the multipole matrix elements (X**l) between single orbitals, in the 1d case. More...
subroutine	elec_matrix_elements_oct_m::delec_dipole_me (this, namespace, hm, ions, ik, elements)
	Computes the dipole matrix elements between KS states. More...
subroutine	elec_matrix_elements_oct_m::dcalculate_expectation_values_matrix (namespace, hm, der, st, eigen, terms, diagonal_states)
subroutine	elec_matrix_elements_oct_m::delec_one_body_me (this, namespace, hm, iindex, jindex, oneint)
subroutine	elec_matrix_elements_oct_m::delec_two_body_me (this, namespace, kpoints, psolver, st_min, st_max, iindex, jindex, kindex, lindex, twoint, phase, singularity, exc_k)