AbiPy Gallery¶

There are a variety of ways to use the AbiPy post-processing tools, and most of them are illustrated in the examples in this directory.

Remember that one can also generate a jupyter notebook directly from the command line with the abiopen.py script and the command:

abiopen.py FILE -nb

issue

abiopen.py FILE –expose

to generate plots automatically or use one of the options of abiview.py to plot the results automatically.

../_images/sphx_glr_plot_ebands_scatter3d_thumb.png

e-bands scatter3d¶

../_images/sphx_glr_plot_bz_thumb.png

Brillouin zone¶

../_images/sphx_glr_plot_structure_thumb.png

../_images/sphx_glr_plot_ebands_boxplot_thumb.png

Seaborn boxplot¶

../_images/sphx_glr_plot_gw_spectral_functions_thumb.png

G0W0 spectral function¶

../_images/sphx_glr_plot_xrd_thumb.png

X-ray diffraction pattern¶

../_images/sphx_glr_plot_speed_of_sound_thumb.png

Speed of Sound¶

../_images/sphx_glr_plot_scqpgw_thumb.png

self-consistent GW¶

../_images/sphx_glr_plot_qps_thumb.png

SIGRES file (GW)¶

../_images/sphx_glr_plot_wannier90_wout_thumb.png

Wannier90 wout file¶

../_images/sphx_glr_plot_multiple_hist_thumb.png

Multiple Structural relaxations¶

../_images/sphx_glr_plot_ddb_asr_thumb.png

Phonon Bands with/without ASR¶

../_images/sphx_glr_plot_fold2bloch_thumb.png

Unfolding with fold2bloch¶

../_images/sphx_glr_plot_edos_thumb.png

../_images/sphx_glr_plot_kpath_from_ibz_thumb.png

K-path from IBZ¶

../_images/sphx_glr_plot_hist_thumb.png

Structural relaxation¶

../_images/sphx_glr_plot_dfpt_cycle_thumb.png

DFPT SCF cycle¶

../_images/sphx_glr_plot_gscycle_thumb.png

Ground-state SCF cycle¶

../_images/sphx_glr_plot_fermisurface_thumb.png

MgB2 Fermi surface¶

../_images/sphx_glr_plot_scr_thumb.png

Dielectric function with LFE¶

../_images/sphx_glr_plot_lobster_files_thumb.png

Lobster COHP/COP/DOS¶

../_images/sphx_glr_plot_multiple_mdf_thumb.png

Multiple Bethe-Salpeter calculations¶

../_images/sphx_glr_plot_a2f_thumb.png

Eliashberg function¶

../_images/sphx_glr_plot_ejdos_thumb.png

Joint Density of States¶

../_images/sphx_glr_plot_ebands_thumb.png

Band structure plot¶

../_images/sphx_glr_plot_ebands_edos_thumb.png

../_images/sphx_glr_plot_lobster_cohp_thumb.png

Lobster COHPCAR¶

../_images/sphx_glr_plot_phonon_pjdos_thumb.png

Projected phonon DOS¶

../_images/sphx_glr_plot_phthermo_thumb.png

Thermodinamic properties¶

../_images/sphx_glr_plot_phonons_infrared_thumb.png

Infrared spectrum of AlAs¶

../_images/sphx_glr_plot_scr_matrix_thumb.png

../_images/sphx_glr_plot_qpconvergence_thumb.png

GW Convergence¶

../_images/sphx_glr_plot_phbands_nkpt_tsmear_thumb.png

Multiple phonon bands¶

../_images/sphx_glr_plot_den_thumb.png

../_images/sphx_glr_plot_funcs_thumb.png

Function1D object¶

../_images/sphx_glr_plot_efatbands_lm_thumb.png

../_images/sphx_glr_plot_mdf_thumb.png

Bethe-Salpeter¶

../_images/sphx_glr_plot_phonons_thumb.png

AlAs Phonon bands¶

../_images/sphx_glr_plot_phbands_and_dos_thumb.png

Phonon Band structures¶

../_images/sphx_glr_plot_phonons_lo_to_thumb.png

Phonon Bands with LO-TO¶

../_images/sphx_glr_plot_gruneisen_thumb.png

Gruneisen parameters¶

../_images/sphx_glr_plot_ebands_grid_thumb.png

ElectronBandsPlotter¶

../_images/sphx_glr_plot_edos_vs_broad_thumb.png

Multiple e-DOSes¶

../_images/sphx_glr_plot_phonon_fatbands_thumb.png

Phonon fatbands¶

../_images/sphx_glr_plot_qha_vs_qmesh_thumb.png

Quasi-harmonic approximation (convergence wrt Q-mesh)¶

../_images/sphx_glr_plot_wannier90_abiwan_thumb.png

Band structure interpolation with Wannier functions¶

../_images/sphx_glr_plot_optic_thumb.png

Optic results¶

../_images/sphx_glr_plot_phonons_msqd_thumb.png

Projected phonon DOS¶

../_images/sphx_glr_plot_phbands_grid_thumb.png

Multiple phonon bands¶

../_images/sphx_glr_plot_potentials_thumb.png

../_images/sphx_glr_plot_wfk_thumb.png

Wavefunction file¶

../_images/sphx_glr_plot_qha_thumb.png

Quasi-harmonic approximation¶

../_images/sphx_glr_plot_ebands_spin_thumb.png

Spin-polarized e-bands¶

../_images/sphx_glr_plot_eph_from_mp_thumb.png

Electrons and Phonons from the materials project website¶

../_images/sphx_glr_plot_efatbands_thumb.png

MgB2 fatbands¶

../_images/sphx_glr_plot_efatbands_spin_thumb.png

spin-polarized fatbands¶

../_images/sphx_glr_plot_qpbands_with_scissor_thumb.png

GW with scissors operator¶

../_images/sphx_glr_plot_qpbands_with_interpolation_thumb.png

GW corrections¶

Gallery generated by Sphinx-Gallery