efield_tb_methods Module Reference

Calculation of electric field contributions in TB. More...

Functions/Subroutines
subroutine, public	efield_tb_matrix (qs_env, ks_matrix, rho, mcharge, energy, calculate_forces, just_energy)
	...

Detailed Description

Calculation of electric field contributions in TB.

Author

JGH

Function/Subroutine Documentation

efield_tb_matrix()

subroutine, public efield_tb_methods::efield_tb_matrix	(	type(qs_environment_type), pointer	qs_env,
		type(dbcsr_p_type), dimension(:, :), pointer	ks_matrix,
		type(qs_rho_type), pointer	rho,
		real(dp), dimension(:), intent(in)	mcharge,
		type(qs_energy_type), pointer	energy,
		logical, intent(in)	calculate_forces,
		logical, intent(in)	just_energy
	)

...

Parameters

qs_env	...
ks_matrix	...
rho	...
mcharge	...
energy	...
calculate_forces	...
just_energy	...

Definition at line 75 of file efield_tb_methods.F.

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