dielectric_methods Module Reference

methods for evaluating the dielectric constant More...

Data Types
interface	dielectric_compute

Functions/Subroutines
subroutine, public	dielectric_create (dielectric, pw_pool, dielectric_params)
	allocates memory for a dielectric data type
subroutine, public	derive_fft (f, df, pw_pool)
	computes the derivative of a function using FFT

Detailed Description

methods for evaluating the dielectric constant

History

06.2014 created [Hossein Bani-Hashemian]

Author

Mohammad Hossein Bani-Hashemian

Function/Subroutine Documentation

dielectric_create()

subroutine, public dielectric_methods::dielectric_create	(	type(dielectric_type), intent(inout), pointer	dielectric,
		type(pw_pool_type), pointer	pw_pool,
		type(dielectric_parameters), intent(in)	dielectric_params )

allocates memory for a dielectric data type

Parameters

dielectric	the dielectric data type to be allocated
pw_pool	pool of pw grid
dielectric_params	dielectric parameters read from input file

History

06.2014 created [Hossein Bani-Hashemian]

Author

Mohammad Hossein Bani-Hashemian

Definition at line 67 of file dielectric_methods.F.

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derive_fft()

subroutine, public dielectric_methods::derive_fft	(	type(pw_r3d_rs_type), intent(in)	f,
		type(pw_r3d_rs_type), dimension(3), intent(inout)	df,
		type(pw_pool_type), pointer	pw_pool )

computes the derivative of a function using FFT

Parameters

f	input funcition
df	derivative of f
pw_pool	pool of plane-wave grid

Definition at line 1201 of file dielectric_methods.F.

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