Contains the setup for the calculation of properties by linear response by the application of second order density functional perturbation theory. The knowledge of the ground state energy, density and wavefunctions is assumed. Uses the self consistent approach. Properties that can be calculated : none

source: qs_linres_module.FLoading...

Driver for the linear response calculatios

Linear response can be called as run type or as post scf calculation Initialize the perturbation environment Define which properties is to be calculated Start up the optimization of the response density and wfn

Driver for the linear response calculatios

TYPE(force_env_type), |
POINTER |
:: | force_env | ... |

Linear response can be called as run type or as post scf calculation Initialize the perturbation environment Define which properties is to be calculated Start up the optimization of the response density and wfn

TYPE(qs_environment_type), |
POINTER |
:: | qs_env | ... |