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plot-dos

plot-dos#

Plots DOS from lobster computation.

usage: lobsterpy plot-dos [-h] [-fdos DOSCAR] [-fstruct STRUCTURE] [-addtdos]
                          [-el ELEMENT [ELEMENT ...]]
                          [-orb ORBITAL [ORBITAL ...]]
                          [--site SITE [SITE ...]] [-sspin]
                          [-eldos | --spddos] [--invertaxis]
                          [--fontsize FONTSIZE] [-ht HEIGHT] [--hideplot]
                          [-nbs] [-sty STYLE [STYLE ...]]
                          [--save-plot FILENAME] [--title TITLE] [-wd WIDTH]
                          [-x XLIM XLIM] [-y YLIM YLIM]
                          [--fwhm FWHM | --sigma SIGMA]

Named Arguments#

-fdos, --file-doscar

path to DOSCAR.lobster. Default is “DOSCAR.lobster”.

Default: DOSCAR.lobster

-fstruct, --file-structure

path to structure file. Default is “POSCAR”. Can also read “POSCAR.lobster” file or any suitable file format supported by pymatgen “Structure.from_file” method.

Default: POSCAR

-eldos, --elementdos

Add DOS projections for each element to the DOS plot

Default: False

--spddos, --spd-dos

Add spd projected dos to the DOS plot

Default: False

--invertaxis, --invert-axis

Invert plot axis of DOS or COOPs COHPs or COBIS

Default: False

--fwhm

Full-width-half-maximum of Gaussian broadening.

--sigma

Standard deviation of Gaussian broadening.

Plotting#

-addtdos, --addtotal, --add-total

Add total dos to DOS plot.

Default: False

-el, --element

Add spd DOS projections for requested element to the DOS plot

-orb, --orbital

Orbital name for the site for which DOS are to be added

--site

Site index in the crystal structure for which DOS need to be added

-sspin, --summedspins, --summed-spins

Plot summed spins DOS

Default: False

--fontsize, --font-size

Base font size

-ht, --height

Plot height in inches

--hideplot, --hide-plot

Hide plot output. Especially relevant when plots are saved.

Default: False

-nbs, --no-base-style, --nobasestyle

Disable inbuilt style entirely. This may prevent interference with external stylesheets when using –style.

Default: False

-sty, --style

Matplotlib style sheet(s) for plot appearance

--save-plot, --saveplot, -s

Save plot to file

--title

Plot title

Default: “”

-wd, --width

Plot width in inches

-x, --xlim

Set x-axis limits for the plots

-y, --ylim

Set y-axis limits for the plots

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