Loading & Visualization
This section outlines the core workflows for importing structure files, managing the workspace, and controlling the visual representation of crystal structures.
File Operations
Opening Files
To load a structure, navigate to File → Open (Ctrl + O) in the application menu. CView utilizes the native file chooser of your operating system to ensure a familiar experience.
Supported Formats: CView automatically detects the file type based on extension and content. You can open the following formats:
| Format | Extensions | Description |
|---|---|---|
| CIF | .cif | Standard Crystallographic Information Files. |
| VASP | POSCAR, CONTCAR, .vasp | Standard VASP structure inputs and outputs. |
| Quantum Espresso | .in, .out, .pwi, .qe | Reads atomic positions and cell parameters from input/output logs. |
| SPR-KKR | .pot, .sys | Munich SPR-KKR potential and system files. |
| XYZ | .xyz | Cartesian coordinates (Standard and Extended XYZ). |
Tab Management
CView uses a tabbed interface to handle multiple structures simultaneously. The application employs a smart loading strategy to keep the workspace clean:
- Replacement Mode: If the current active tab is empty (labelled "Untitled" with no structure), opening a file will replace this tab.
- New Tab Mode: If a structure is already loaded, the new file will open in a separate, closable tab.
Upon successfully loading a file, the application logs the event in the Interaction Log and automatically refreshes the Sidebar to display the atom list for the new structure.
Saving & Exporting
Saving Data
To convert a loaded structure into a different format, use File → Save As (Shift+ Ctrl+ S). The output format is determined by the selected file filter in the dialog.
Available Output Formats:
- CIF (*.cif)
- VASP POSCAR (POSCAR, *.vasp)
- SPR-KKR Potential (*.pot)
- Quantum Espresso Input (*.in)
- XYZ (*.xyz)
Visualization Controls
Once a structure is loaded, the View menu provides tools to orient and inspect the crystal lattice.
Standard Views
Quickly align the camera to specific crystallographic axes to inspect symmetry or stacking sequences.
- View Along A: Aligns camera with the a-axis (y=−90°).
- View Along B: Aligns camera with the b-axis (x=90°).
- View Along C: Aligns camera with the c-axis (Standard Plan View).
- Reset View: Restores the default zoom (1.0) and rotation (0,0).
Rotation Modes
You can customize the pivot point around which the camera rotates, depending on whether you are inspecting the atomic cluster or the lattice boundaries.
| Mode | Description |
|---|---|
| Centroid | Rotates around the geometric centre of the atoms. Best for inspecting molecules or specific bonding environments. |
| Unit Cell | Rotates around the centre of the unit cell box. Best for understanding the lattice boundaries relative to the origin. |
Exporting Visuals
For publications and presentations, CView offers high-fidelity export options via the File → Export (Ctrl + E) menu.
PNG Image: Renders a high-resolution raster image (default resolution: $2000\times 1500$ pixels). Ideal for slides and quick sharing.
PDF Document: Exports the scene as a vector graphic. This is recommended for academic papers, as it allows for infinite scaling without loss of quality.