CASTEP > Dialogs in CASTEP > CASTEP Calculation dialog > Electronic tab > CASTEP Electronic Options dialog

CASTEP Electronic Options dialog

The CASTEP Electronic Options dialog allows you to set up and display the details of the electronic Hamiltonian used in CASTEP calculations. These parameters are relevant for the Energy, Geometry Optimization, Dynamics, Elastic Constants and TS Search tasks.

It contains the following tabs:

Help: Displays the Help topic for the current tab.

Access methods

MenuModules | CASTEP | Calculation | Electronic | More...
Toolbar | Calculation | Electronic | More...
See Also:

Pseudopotentials
Plane wave basis set
Brillouin zone sampling
Self-consistent electronic minimization
Setting electronic options
Electronic tab - CASTEP Calculation dialog

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