Set Dimensionality Dialog Box

Specify the dimensionality of the system.

To open this dialog box, click Set Dimensionality in the Quantum ESPRESSO Calculations Panel, Effective Screening Medium Calculations Panel, or Nudged Elastic Band Calculations Panel.

  • Features
  • Additional Resources

Set Dimensionality Dialog Box Features

Dimensionality Table

Specify the dimensionality of the system for each row in the table. If opened from the Effective Screening Medium Calculations Panel, all entries must set the dimensionality as Slab.

Selected Entry Title column

The name of each selected entry in the Entry List is shown as a row.

Dimensionality column

For each entry specify the dimensionality using the option menu, from Undefined, Bulk, or Slab.

  • Undefined—Leave the dimensionality unspecified.
  • Bulk—For bulk material.
  • Slab—For slabs. If this option is selected, and the density or grid plane is defined, the k-point mesh is set to 1 along the reciprocal Z direction. If set from the Nudged Elastic Band Calculations Panel, the generated path is two-dimensional.
Dimensionality option menu and Apply to All button

Specify a dimensionality in the option menu and click Apply to All to apply it to all entries in the table.

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