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 |
|---|---|
|
Performs a single energy evaluation |
|
Computes the linear response to static field |
|
Computes the linear response to dynamic field |
|
Restarts a previous calculation. Only allowed combined with |
Examples
what:
- energy
what:
- dynamic response
what:
- dynamic response
- restart