TDDFT_SELECTED_STATE (.param)

Keyword type

Integer

Description

This keyword specified the excited states to use during geometry optimization or molecular dynamics.

Default

0

Example

TDDFT_SELECTED_STATE : 1
See Also:

CASTEP keyword glossary
CASTEP parameters keywords

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
Legal Notices