born_charges.F90 File Reference

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Modules
module	born_charges_oct_m

Data Types
type	born_charges_oct_m::born_charges_t

Functions/Subroutines
subroutine, public	born_charges_oct_m::born_charges_init (this, namespace, natoms, val_charge, qtot, dim)
subroutine, public	born_charges_oct_m::born_charges_end (this)
subroutine	born_charges_oct_m::correct_born_charges (this, natoms, dim)
	The sum over atoms of a given tensor component of the born charges should be Z delta_ij to satisfy the acoustic sum rule, where Z is total charge of system. More...
subroutine, public	born_charges_oct_m::born_output_charges (this, atom, charge, natoms, namespace, dim, dirname, write_real)