qs_linres_polar_utils.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	qs_linres_polar_utils
	Polarizability calculation by dfpt Initialization of the polar_env, Perturbation Hamiltonian by application of the Berry phase operator to psi0 Write output Deallocate everything periodic Raman SL February 2013.

Functions/Subroutines
subroutine, public	qs_linres_polar_utils::polar_env_init (qs_env)
	Initialize the polar environment.
subroutine, public	qs_linres_polar_utils::polar_polar (qs_env)
	...
subroutine, public	qs_linres_polar_utils::polar_print (qs_env)
	Print information related to the polarisability tensor.
subroutine, public	qs_linres_polar_utils::polar_response (p_env, qs_env)
	Calculate the polarisability tensor using response theory.
subroutine, public	qs_linres_polar_utils::write_polarisability_tensor (force_env, motion_section, itimes, time, pos, act)
	Prints the polarisability tensor to a file during MD runs.