CASTEP > Dialogs in CASTEP > CASTEP Calculation dialog > Properties tab > Orbitals selection

Orbitals selection

Checking the Orbitals checkbox on the Properties tab causes the orbitals (wavefunctions) to be calculated as part of the CASTEP run.

Orbitals are required to calculate the STM profile.

Access methods

Menu Modules | CASTEP | Calculation | Properties | Orbitals
Toolbar CASTEP | Calculation | Properties | Orbitals
See Also:

Properties tab - CASTEP Calculation dialog
Requesting orbitals analysis

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