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    • AlAs Phonon bands
    • Band structure interpolation with Wannier functions
    • Band structure plot
    • Bands + DOS
    • Bethe-Salpeter
    • Brillouin zone
    • DFPT SCF cycle
    • Debye-Waller and generalized phonon DOS
    • Density File
    • Dielectric function with LFE
    • Effective masses with finite diff
    • Electron DOS
    • Electron bands box plot
    • ElectronBandsPlotter
    • ElectronDosPlotter
    • Eliashberg function
    • Function1D object
    • G0W0 spectral function
    • GW Convergence
    • GW corrections
    • GW with scissors operator
    • GWR results
    • Ground-state SCF cycle
    • Gruneisen parameters
    • Infrared spectrum of AlAs
    • Interatomic Force Constants
    • Joint Density of States
    • K-path from IBZ
    • LM-fatbands
    • Lobster COHP/COP/DOS
    • Lobster COHPCAR
    • Luminescent properties (1D-CCM)
    • Luminescent properties (1D-CCM)
    • MgB2 fatbands
    • Multiple Bethe-Salpeter calculations
    • Multiple Structural relaxations
    • Multiple e-DOSes
    • Multiple phonon bands
    • Multiple phonon bands with DDB robot
    • Optic results
    • Phonon Band structures (Plotly version)
    • Phonon band structures with LO-TO
    • Phonon bands with LO-TO from PHBST.nc
    • Phonon bands with/without the ASR
    • Phonon fatbands
    • Plot convergence
    • Plot the LRUJ results
    • Potentials
    • Projected phonon DOS
    • Projected phonon DOS
    • QHA_2D method
    • Quasi-harmonic approximation
    • Quasi-harmonic approximation (convergence wrt Q-mesh)
    • Quasi-harmonic approximation with v-ZSISA
    • SCR matrix
    • SIGRES file (GW)
    • Speed of Sound
    • Spin-polarized e-bands
    • Structural relaxation
    • Thermodynamic properties
    • Unfolding with fold2bloch
    • Wannier90 wout file
    • Wavefunction file
    • X-ray diffraction pattern
    • e-bands scatter3d
    • e-ph matrix along a path in the BZ
    • self-consistent GW
    • spin-polarized fatbands
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AbiPy Gallery

There are a variety of ways to use the AbiPy post-processing tools, and some of them are illustrated in the examples in this directory. These examples represent an excellent starting point if you need to implement a customized script to solve your particular problem. Keep in mind, however, that simple visualization tasks can be easily automated by just issuing in the terminal:

abiopen.py FILE --expose

to generate a predefined list of matplotlib plots. To activate the plotly version (if available) use:

abiopen.py FILE --plotly

Note also that one can generate jupyter-lab notebooks directly from the command line with abiopen.py and the command:

abiopen.py FILE -nb

Add –classic-notebook if you prefer classic jupyter notebooks.

Finally, use one of the options of the abiview.py script to plot the results automatically.

AlAs Phonon bands

AlAs Phonon bands

Band structure interpolation with Wannier functions

Band structure interpolation with Wannier functions

Band structure plot

Band structure plot

Bands + DOS

Bands + DOS

Bethe-Salpeter

Bethe-Salpeter

Brillouin zone

Brillouin zone

DFPT SCF cycle

DFPT SCF cycle

Debye-Waller and generalized phonon DOS

Debye-Waller and generalized phonon DOS

Density File

Density File

Dielectric function with LFE

Dielectric function with LFE

Effective masses with finite diff

Effective masses with finite diff

Electron DOS

Electron DOS

Electron bands box plot

Electron bands box plot

ElectronBandsPlotter

ElectronBandsPlotter

ElectronDosPlotter

ElectronDosPlotter

Eliashberg function

Eliashberg function

Function1D object

Function1D object

G0W0 spectral function

G0W0 spectral function

GW Convergence

GW Convergence

GW corrections

GW corrections

GW with scissors operator

GW with scissors operator

GWR results

GWR results

Ground-state SCF cycle

Ground-state SCF cycle

Gruneisen parameters

Gruneisen parameters

Infrared spectrum of AlAs

Infrared spectrum of AlAs

Interatomic Force Constants

Interatomic Force Constants

Joint Density of States

Joint Density of States

K-path from IBZ

K-path from IBZ

LM-fatbands

LM-fatbands

Lobster COHP/COP/DOS

Lobster COHP/COP/DOS

Lobster COHPCAR

Lobster COHPCAR

Luminescent properties (1D-CCM)

Luminescent properties (1D-CCM)

Luminescent properties (1D-CCM)

Luminescent properties (1D-CCM)

MgB2 fatbands

MgB2 fatbands

Multiple Bethe-Salpeter calculations

Multiple Bethe-Salpeter calculations

Multiple Structural relaxations

Multiple Structural relaxations

Multiple e-DOSes

Multiple e-DOSes

Multiple phonon bands

Multiple phonon bands

Multiple phonon bands with DDB robot

Multiple phonon bands with DDB robot

Optic results

Optic results

Phonon Band structures (Plotly version)

Phonon Band structures (Plotly version)

Phonon band structures with LO-TO

Phonon band structures with LO-TO

Phonon bands with LO-TO from PHBST.nc

Phonon bands with LO-TO from PHBST.nc

Phonon bands with/without the ASR

Phonon bands with/without the ASR

Phonon fatbands

Phonon fatbands

Plot convergence

Plot convergence

Plot the LRUJ results

Plot the LRUJ results

Potentials

Potentials

Projected phonon DOS

Projected phonon DOS

Projected phonon DOS

Projected phonon DOS

QHA_2D method

QHA_2D method

Quasi-harmonic approximation

Quasi-harmonic approximation

Quasi-harmonic approximation (convergence wrt Q-mesh)

Quasi-harmonic approximation (convergence wrt Q-mesh)

Quasi-harmonic approximation with v-ZSISA

Quasi-harmonic approximation with v-ZSISA

SCR matrix

SCR matrix

SIGRES file (GW)

SIGRES file (GW)

Speed of Sound

Speed of Sound

Spin-polarized e-bands

Spin-polarized e-bands

Structural relaxation

Structural relaxation

Thermodynamic properties

Thermodynamic properties

Unfolding with fold2bloch

Unfolding with fold2bloch

Wannier90 wout file

Wannier90 wout file

Wavefunction file

Wavefunction file

X-ray diffraction pattern

X-ray diffraction pattern

e-bands scatter3d

e-bands scatter3d

e-ph matrix along a path in the BZ

e-ph matrix along a path in the BZ

self-consistent GW

self-consistent GW

spin-polarized fatbands

spin-polarized fatbands

Download all examples in Python source code: gallery_python.zip

Download all examples in Jupyter notebooks: gallery_jupyter.zip

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© Copyright 2023, M. Giantomassi and the AbiPy group. Last updated on May 27, 2025.

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