rt_propagation_velocity_gauge.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	rt_propagation_velocity_gauge
	Routines to perform the RTP in the velocity gauge.

Functions/Subroutines
subroutine, public	rt_propagation_velocity_gauge::velocity_gauge_ks_matrix (qs_env, subtract_nl_term)
	...
subroutine, public	rt_propagation_velocity_gauge::update_vector_potential (qs_env, dft_control)
	Update the vector potential in the case where a time-dependant electric field is apply.
subroutine, public	rt_propagation_velocity_gauge::velocity_gauge_nl_commutator (qs_env, matrix_cre, matrix_cim, vec_pot)
	Calculate the commutator [Vnl~, r_d] (d=x,y,z) of the gauge-transformed nonlocal pseudopotential with the position operator, needed for the nonlocal correction to the integrated electronic current in RTP/EMD. The moment is taken relative to each projector center, which makes the result origin-independent (the constant shifts cancel exactly in the commutator). For vec_pot = 0 the plain commutator [Vnl, r_d] is obtained (matrix_cim = 0).
subroutine, public	rt_propagation_velocity_gauge::velocity_gauge_nl_force (qs_env, particle_set)
	Calculate the force associated to non-local pseudo potential in the velocity gauge.