what section

The what section specifies the type of calculation that plasmonX should perform.

This section is optional. Default: energy

Valid keywords

The following keywords are supported:

Keyword

Description

- energy

Performs a single energy evaluation

- static response

Computes the linear response to static field

- dynamic response

Computes the linear response to dynamic field

- restart

Restarts a previous calculation. Only allowed combined with dynamic response.

Examples

what:
  - energy
what:
  - dynamic response
what:
  - dynamic response
  - restart