EBS & DOS #

This page documents the combined Electronic Band Structure plus Density of States workflow. It covers required files, parse behavior, combined plotting controls, shared filters, projection tables, rendering, navigation tools, export, and common warnings/errors.

The workflow is code-agnostic: upload the files required by your selected parser/code, parse once, then configure EBS and DOS rendering together. This page uses VASP file names (PROCAR, DOSCAR, KPOINTS, POSCAR) as concrete examples.

For full right-sidebar styling controls shared by all plot pages, see Plot Settings.

Combined EBS and DOS spin-polarized example for
                                CaFeO3
Combined EBS and DOS colormap
                                projection example for SrTiO3
Combined EBS and DOS projected channels
                                example for SrTiO3

Input and parsing #

Combined plotting requires both band/projection data and DOS data. In the VASP implementation, PROCAR and DOSCAR are required, while KPOINTS and POSCAR are optional but strongly recommended for cleaner axis labels and species-grouped tables.

A single parse operation loads both EBS and DOS arrays and shared metadata. After parsing, the app can build plain and filtered traces for both subplots in one combined figure.

File parsing and plotting run locally in your browser; uploaded files are not sent to external servers.

File Required Purpose
PROCAR Yes Band energies and projections used for plain and filtered EBS traces (VASP example).
DOSCAR Yes Total and projected DOS arrays used for plain and filtered DOS traces, and the DOS-side Fermi level reference in combined mode (VASP example).
KPOINTS No Provides k-path labels and boundaries for the EBS axis.
POSCAR No Provides structure/species metadata for grouped filter tables.

After selecting files, click Parse to initialize the combined EBS+DOS state.

Combined plot options #

Plot plain bands / Plot filtered bands: control plain and filtered EBS rendering in the left/right EBS subplot.

Plot plain DOS / Plot filtered DOS: control plain and filtered DOS rendering in the DOS subplot.

Smoothing factor: applies DOS smoothing interpolation (0 to 1) in the combined chart flow.

Figure layout: places DOS on the left or right side of EBS.

Area ratio: controls how much horizontal space is assigned to EBS versus DOS.

Figure Layout
Area Ratio

Line/marker panel

The Line/Marker panel in General Options controls the style of combined plain traces.

Line/Marker

Line: choose the line style (Solid, Dashed, or Dotted).

Width: customize the plot lines line width by modifying this field. The units are pixels.

Marker: choose the marker type (None, Circle, Square, Triangle, or Diamond).

Size: set marker size in pixels.

Color: customize the line and marker color using the color picker. The appearance of the color picker is defined by the browser. In Firefox, to select a custom color you need to click on the “+” icon.

Opacity: set the opacity of line and marker style to any value between 0 and 1, where 0 means fully transparent and 1 means fully opaque.

Plot Order: control drawing stack priority; higher values are drawn on top of lower values, while auto keeps default ordering.

Legend panel

The Legend Panel in General Options controls the legend label text and label style for combined plain traces.

Legend Label

Include: enable or disable that trace in the legend. When unchecked, the corresponding legend entry is hidden.

Label: set the legend label text for the trace.

Color: customize the legend label color using the color picker. The appearance of the color picker is defined by the browser. In Firefox, to select a custom color you need to click on the “+” icon.

Weight: customize the font weight using this dropdown. The options correspond to font-thin, font-extralight, font-light, font-normal, font-medium, font-semibold, font-bold, font-extrabold, and font-black, which map to 100, 200, 300, 400, 500, 600, 700, 800, and 900, respectively. Most fonts only provide a subset of these weights (typically normal and bold). You can see examples of fonts that support all weights in Google Fonts.

Style: customize the font style as normal or italic.

Fermi level panel

The Fermi level panel in General Options controls the horizontal Fermi reference line drawn in the plot.

Fermi Level

Show fermi: enable or disable the Fermi reference line.

Shift: apply an additional energy offset before plotting. The displayed energy reference follows E - (EF + shift), and the shift unit follows the selected energy unit in the Units panel.

In combined mode, separate shift values are available for EBS and DOS so each side can be aligned to your preferred reference.

Line, Width, Color: control the visual style of the Fermi line.

Opacity: set the opacity of fermi line to any value between 0 and 1, where 0 means fully transparent and 1 means fully opaque.

Plot Order: control rendering priority relative to other traces and overlays.

Bandgap panel

The Bandgap panel in General Options controls the guide lines and annotations used to visualize the gap.

Bandgap

Show bandgap: enable or disable bandgap guides and labels.

Color, Line, Width: control the style of the bandgap guide lines.

Length: set guide extent to none, partial, or full.

Fill: choose how the gap region is rendered: none, hash, or solid.

Arrow: show or hide directional arrow markers.

Value: show or hide the numeric gap label in the selected energy unit.

In combined mode, bandgap guides can be toggled independently for EBS and DOS while sharing one control tile.

Filtered workflow #

Filtered plotting requires projected data and at least one filter card. If projected data is unavailable, adding filters is disabled.

+ Add Filter: add a new filter card with projection-table selection and style controls.

Smart Plotting Order: when enabled, filters with smaller projected contribution are plotted on top.

First filter behavior: first-time filter creation enables filtered mode; plain and filtered curves can still be rendered together afterward.

Filter scope: each filter has independent projection selections, label controls, and visual styling.

Filter removal: remove filters individually without affecting other filter cards.

Filter cards #

Combined mode uses one shared filter definition per card, then applies it consistently to EBS and DOS projected rendering paths.

Coloring panel

Color / Colormap: choose between a single solid color and colormap-based rendering for each filter.

Color: when Color is selected, use the color picker to set the filter color.

Colormap: when Colormap is selected, choose the palette used to map projected values.

Reverse: reverse the colormap direction.

Opacity: control filter transparency from 0 to 1.

Plot Order: control drawing stack priority; higher values are drawn on top.

Coloring

Line and marker panel

Line: select line style from None, Solid, Dashed, and Dotted.

Width: set line width in pixels. This field is disabled when Line is None.

Marker: select marker type from None, Circle, Square, Triangle, and Diamond.

Size: set marker size in pixels. This field is disabled when Marker is None.

Fill under the curve: for DOS filters in solid-color mode, fill the area under each filtered curve.

Value-scaled width/size: in electronic band structure filters, scale line width and marker size using projected values.

Combined view: this panel is split into dedicated EBS and DOS tiles so each side can be configured independently.

Line/Marker EBS
Line/Marker DOS

Spins/values panel

Spin ↑ / Spin ↓: select which spin channels are included for this filter. This option is available only for spin-polarized calculations.

vmin: set the lower bound for colormap normalization.

vmax: set the upper bound for colormap normalization.

Normalize: this does not perform a quantum-mechanical normalization. It only rescales the selected projection values so they add up to one for plotting. Projection values depend on the selected projection basis and projection radii, and the selected set may be incomplete.

Spins/Values

Legend panel

Include: enable or disable that filter in the legend. When unchecked, the filter legend entry is hidden.

Legend Label: enter custom legend text for the filter. Leave this field empty to use the auto-generated label from your projection selection.

Color: customize the legend label color using the color picker. The appearance of the color picker is defined by the browser. In Firefox, to select a custom color you need to click on the “+” icon.

Weight: customize the font weight using this dropdown. The options correspond to font-thin, font-extralight, font-light, font-normal, font-medium, font-semibold, font-bold, font-extrabold, and font-black, which map to 100, 200, 300, 400, 500, 600, 700, 800, and 900, respectively. Most fonts only provide a subset of these weights (typically normal and bold). You can see examples of fonts that support all weights in Google Fonts.

Style: customize the font style as normal or italic.

Legend Label

Projection table (ions, orbitals, and spin channels) #

The combined filter table follows the same selection model used by EBS and DOS pages. Selections in this table are reused by both sides of the combined plot when filtered modes are active.

Rows: represent ions directly, or species-grouped ions when structure metadata is available and consistent.

Columns: represent orbital channels and, for non-collinear datasets, magnetization channels.

All: row-level and species-level bulk selection supports indeterminate state when selections are partial.

Basic table when structure metadata is missing or cannot be matched reliably to projected data.

Species-grouped table when structure metadata is available and consistent with projected blocks.

Non-collinear table with magnetization channels (mx, my, mz) for direction-resolved filtering.

Axis and rendering #

Split layout: EBS and DOS are rendered in one chart with two coordinated grids.

Side selection: DOS can be placed on the left or right side without changing plotted data.

Ratio control: EBS and DOS widths are controlled by the area-ratio inputs.

Shared interaction: zoom/pan tooling applies consistently across the combined figure context.

Renderer: combined plotting supports canvas and SVG rendering, and export selects renderer by output format.

Navigation #

Use the quick ribbon controls above the chart to manage interaction behavior while inspecting and presenting figures.

Dark Mode: toggle only the chart styling mode to view the same data in light and dark figure themes without changing the rest of the page style. To toggle page dark/light mode, use the top-right button: Moon icon / Sun icon .

Tooltip: control whether hover readouts and axis-pointer guides are shown. Tooltips are very helpful for inspecting projection contributions. While the axis pointer guides marks the exact x and y position you are of the mouse pointer. Below is an example of a tooltip that appears when you hover over a band segment.

Sr: 0.043 (6.2%)
Ti-(dxy,dyz,dxz): 0.135 (19.4%)
Ti-(dz2,dx2-y2): 0.018 (2.6%)
O: 0.482 (69.2%)
Total: 2.56
Sr: 0.04 (1.7%)
Ti-(dxy,dyz,dxz): 2.03 (79.0%)
Ti-(dz2,dx2-y2): 0.0 (0.0%)
O: 0.29 (11.2%)

Drag: enable click-and-drag panning of the current zoom window. Use this option to inspect adjacent regions without resetting the zoom.

Zoom Sliders: toggle the axis zoom sliders on or off for interactive zoom control.

Zoom Scroll: enable mouse scroll-wheel zoom interactions. For best results, hold Ctrl while scrolling. You can also hold Ctrl without enabling Zoom Scroll to quickly zoom in and out around the mouse focus.

Zoom Window: enable zooming into a specific rectangular region in a single action.

Plot and export #

Use Plot to render, Reset to clear, and Download to export. Export supports PNG, JPEG, and SVG.

Download behavior requests the correct renderer per format (SVG renderer for SVG export; canvas renderer for PNG/JPEG).

If you download SVG, the figure and element positions remain fully editable when opened in software such as Adobe Illustrator, Inkscape, or GIMP.

Warnings and errors #

Invalid settings: "Some settings are invalid. Please review highlighted fields before plotting." This appears when one or more sidebar inputs are invalid. Fix highlighted fields, then plot again.

Missing required upload: "Missing required file: PROCAR. Please select it before parsing." and "Missing required file: DOSCAR. Please select it before parsing." Upload both required files before parsing.

Combined-input guard: "Both PROCAR and DOSCAR are required for EBS+DOS plotting." This appears when parsed payloads are incomplete for combined rendering.

Parse failure: "Failed to parse files." Parser-provided details may also appear. Common causes are invalid files or files from mismatched calculations.

Parse required: "Parsing required: click Parse first." Plotting requires a successful parse cycle.

EBS mode selection required: "Select at least one EBS plotting mode." Enable plain or filtered bands before plotting.

DOS mode selection required: "Select at least one DOS plotting mode." Enable plain or filtered DOS before plotting.

Missing combined arrays: "Missing parsed EBS or DOS arrays." Re-parse required files and retry.

Incomplete metadata: "Parsed metadata is incomplete for combined plotting." Ensure required metadata (band counts, k-points, DOS grid) is available.

Base-option build failure: "Failed to build EBS or DOS base options." This indicates a plotting-stage option assembly error.

Export before plotting: "Plot EBS+DOS first, then export." Export is available only after a successful render.