perturbation_ionic.F90 File Reference

Go to the source code of this file.

Modules
module	perturbation_ionic_oct_m

Data Types
interface	perturbation_ionic_oct_m::perturbation_ionic_t

Functions/Subroutines
class(perturbation_ionic_t) function, pointer	perturbation_ionic_oct_m::perturbation_ionic_constructor (namespace, ions)
	The factory routine (or constructor) allocates a pointer of the corresponding type and then calls the init routine which is a type-bound procedure of the corresponding type. With this design, also derived classes can use the init routine of the parent class. More...
subroutine	perturbation_ionic_oct_m::perturbation_ionic_init (this, namespace, ions)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_copy (this, source)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_finalize (this)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_info (this)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_setup_dir (this, dir, dir2)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_setup_atom (this, iatom, iatom2)
subroutine	perturbation_ionic_oct_m::perturbation_ionic_setup_mixed_dir (this, iatom, idir, val, jatom, jdir, valuej)
subroutine	perturbation_ionic_oct_m::dperturbation_ionic_apply (this, namespace, space, gr, hm, ik, f_in, f_out, set_bc)
	Returns f_out = H' f_in, where H' is perturbation Hamiltonian Note that e^ikr phase is applied to f_in, then is removed afterward. More...
subroutine	perturbation_ionic_oct_m::dionic_perturbation (gr, namespace, ions, hm, ik, f_in, f_out, iatom, idir)
subroutine	perturbation_ionic_oct_m::dperturbation_ionic_apply_order_2 (this, namespace, space, gr, hm, ik, f_in, f_out)
subroutine	perturbation_ionic_oct_m::dionic_perturbation_order_2 (gr, namespace, ions, hm, ik, f_in, f_out, iatom, idir, jdir)
subroutine, public	perturbation_ionic_oct_m::dionic_pert_matrix_elements_2 (gr, namespace, space, ions, hm, ik, st, vib, matrix)
	Computes the second order term. More...
subroutine	perturbation_ionic_oct_m::zperturbation_ionic_apply (this, namespace, space, gr, hm, ik, f_in, f_out, set_bc)
	Returns f_out = H' f_in, where H' is perturbation Hamiltonian Note that e^ikr phase is applied to f_in, then is removed afterward. More...
subroutine	perturbation_ionic_oct_m::zionic_perturbation (gr, namespace, ions, hm, ik, f_in, f_out, iatom, idir)
subroutine	perturbation_ionic_oct_m::zperturbation_ionic_apply_order_2 (this, namespace, space, gr, hm, ik, f_in, f_out)
subroutine	perturbation_ionic_oct_m::zionic_perturbation_order_2 (gr, namespace, ions, hm, ik, f_in, f_out, iatom, idir, jdir)
subroutine, public	perturbation_ionic_oct_m::zionic_pert_matrix_elements_2 (gr, namespace, space, ions, hm, ik, st, vib, matrix)
	Computes the second order term. More...