Quantum ESPRESSO Import Panel

Import structures extracted from a Quantum ESPRESSO output file.

To open this panel, click the Tasks button and browse to Materials → Quantum Mechanics → Quantum ESPRESSO → Quantum ESPRESSO Import.

The following licenses are required to use this panel: MS Maestro, Quantum Espresso Interface

  • Features
  • Additional Resources

Quantum ESPRESSO Import Panel Features

Output file name text box and Browse button

Enter the output file name in this text box, or click Browse and navigate to the output file. The name of the file you selected is displayed in the text box. The file must be a Quantum ESPRESSO output file (.out, .save.qegz).

Save last structure only option

Only import the final structure in an optimization.

Job toolbar

Manage job submission and settings. See Job Toolbar for a description of this toolbar.

The Job Settings button opens the Quantum ESPRESSO Import - Job Settings Dialog Box, where you can make settings for running the job.

Status bar

The status bar displays information about the current job settings and status for the panel. The settings includes the job name, task name and task settings (if any), number of subjobs (if any) and the host name and job incorporation setting. The job status can include messages about job start, job completion and incorporation. It also displays a progress bar for the job.

Use the Reset button to reset the panel to its default settings and clear any data from the panel. You can also reset the panel from the Job toolbar.

The status bar also contains the Help button , which opens the help topic for the panel in your browser. If the panel is used by one or more tutorials, hovering over the Help button displays a button, which you can click to display a list of tutorials (or you can right-click the Help button instead). Choosing a tutorial opens the tutorial topic.

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