qs_tddfpt_module Module Reference

Performs density functional perturbation theory (tddfpt) calculations. Uses the self consistent approach. The tddfpt calculation uses the ground state of the unperturbed system as the initial state. More...

Functions/Subroutines
subroutine, public	tddfpt_calculation (qs_env)
	Performs the perturbation calculation. More...

Detailed Description

Performs density functional perturbation theory (tddfpt) calculations. Uses the self consistent approach. The tddfpt calculation uses the ground state of the unperturbed system as the initial state.

Function/Subroutine Documentation

tddfpt_calculation()

subroutine, public qs_tddfpt_module::tddfpt_calculation

(

type(qs_environment_type), pointer

qs_env

)

Performs the perturbation calculation.

Parameters

qs_env

...

Definition at line 67 of file qs_tddfpt_module.F.

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