CHANGELOG.rst
LICENSE
MANIFEST.in
README.rst
TODO.rst
setup.cfg
setup.py
abipy/__init__.py
abipy/abilab.py
abipy/nose.cfg
abipy/profile.py
abipy/scissors.py
abipy.egg-info/PKG-INFO
abipy.egg-info/SOURCES.txt
abipy.egg-info/dependency_links.txt
abipy.egg-info/requires.txt
abipy.egg-info/top_level.txt
abipy/abio/__init__.py
abipy/abio/abivars.py
abipy/abio/abivars_db.py
abipy/abio/decorators.py
abipy/abio/factories.py
abipy/abio/input_tags.py
abipy/abio/inputs.py
abipy/abio/n1000multiples_primes.json
abipy/abio/outputs.py
abipy/abio/robots.py
abipy/abio/timer.py
abipy/benchmarks/__init__.py
abipy/benchmarks/_dfpt_phonon_tio2.py
abipy/benchmarks/_runemall.py
abipy/benchmarks/_string5.py
abipy/benchmarks/bse_haydock.py
abipy/benchmarks/dfpt_autoparal_phonon.py
abipy/benchmarks/dfpt_ddk.py
abipy/benchmarks/dfpt_phonon.py
abipy/benchmarks/eph_al.py
abipy/benchmarks/gs_au108.py
abipy/benchmarks/gs_autoparal.py
abipy/benchmarks/gs_febio3.py
abipy/benchmarks/gs_istwfk.py
abipy/benchmarks/gs_kpara.py
abipy/benchmarks/gs_mpifft.py
abipy/benchmarks/gs_paralkgb.py
abipy/benchmarks/gs_pureomp.py
abipy/benchmarks/gs_ti256.py
abipy/benchmarks/gs_uo2.py
abipy/benchmarks/gs_useylm.py
abipy/benchmarks/gsio_paralkgb.py
abipy/benchmarks/moldyn1.py
abipy/benchmarks/moldyn5.py
abipy/benchmarks/rpa_optic.py
abipy/benchmarks/scr_hilbert.py
abipy/benchmarks/scr_rpa.py
abipy/benchmarks/sigma_cd.py
abipy/benchmarks/sigma_ppm.py
abipy/benchmarks/test_scripts.py
abipy/core/__init__.py
abipy/core/abinit_units.py
abipy/core/fields.py
abipy/core/func1d.py
abipy/core/gsphere.py
abipy/core/irrepsdb.py
abipy/core/kpoints.py
abipy/core/mesh3d.py
abipy/core/mixins.py
abipy/core/perl.py
abipy/core/release.py
abipy/core/skw.py
abipy/core/structure.py
abipy/core/symmetries.py
abipy/core/tensor.py
abipy/core/testing.py
abipy/core/wyckoff.py
abipy/data/__init__.py
abipy/data/benchmark_structures.py
abipy/data/ucells.py
abipy/data/cifs/__init__.py
abipy/data/cifs/al.cif
abipy/data/cifs/gan.cif
abipy/data/cifs/gan2.cif
abipy/data/cifs/si.cif
abipy/data/integration_tests/zenobe/test_abipy_limits.py
abipy/data/mpdata/mp_structures.json
abipy/data/pseudos/01h.pspgth
abipy/data/pseudos/12mg.pspnc
abipy/data/pseudos/13al.981214.fhi
abipy/data/pseudos/13al.pspnc
abipy/data/pseudos/14si.pspnc
abipy/data/pseudos/1h.paw
abipy/data/pseudos/22ti.psp_mod
abipy/data/pseudos/26fe.pspnc
abipy/data/pseudos/28ni.paw
abipy/data/pseudos/31ga.pspnc
abipy/data/pseudos/33as.pspnc
abipy/data/pseudos/3li.pspnc
abipy/data/pseudos/56ba.psp_mod
abipy/data/pseudos/5b.pspnc
abipy/data/pseudos/6c.lda.atompaw
abipy/data/pseudos/6c.pspnc
abipy/data/pseudos/73ta.hghsc
abipy/data/pseudos/7n.paw
abipy/data/pseudos/7n.pspnc
abipy/data/pseudos/83-Bi.GGA.fhi
abipy/data/pseudos/8o.2.paw
abipy/data/pseudos/8o.psp_mod
abipy/data/pseudos/8o.pspnc
abipy/data/pseudos/8o_hard.paw
abipy/data/pseudos/9f.pspnc
abipy/data/pseudos/Al.GGA_PBE-JTH.xml
abipy/data/pseudos/Al.oncvpsp
abipy/data/pseudos/B.psp8
abipy/data/pseudos/C.oncvpsp
abipy/data/pseudos/Ga-high.oncvpsp
abipy/data/pseudos/Ga.oncvpsp
abipy/data/pseudos/N.oncvpsp
abipy/data/pseudos/Si.GGA_PBE-JTH-paw.xml
abipy/data/pseudos/Si.oncvpsp
abipy/data/pseudos/Ti-sp.psp8
abipy/data/pseudos/au.paw
abipy/data/pseudos/o.paw
abipy/data/pseudos/ti.paw
abipy/data/pseudos/u.paw
abipy/data/refs/QPSC_SIGRES.nc
abipy/data/refs/__init__.py
abipy/data/refs/_gen_all.py
abipy/data/refs/sic_relax_HIST.nc
abipy/data/refs/tgw1_9o_DS4_SIGRES.nc
abipy/data/refs/al_g0w0_spfunc/al_g0w0_sigmaw_SIGRES.nc
abipy/data/refs/al_g0w0_spfunc/gendata.py
abipy/data/refs/al_g0w0_spfunc/run.abi
abipy/data/refs/al_g0w0_spfunc/run.abo
abipy/data/refs/alas_phonons/gendata.py
abipy/data/refs/alas_phonons/run.abi
abipy/data/refs/alas_phonons/run.abo
abipy/data/refs/alas_phonons/trf2_3.ddb.out
abipy/data/refs/alas_phonons/trf2_5.out_PHBST.nc
abipy/data/refs/alas_phonons/trf2_5.out_PHDOS.nc
abipy/data/refs/mgb2_fatbands/gendata.py
abipy/data/refs/mgb2_fatbands/mgb2_kmesh181818_FATBANDS.nc
abipy/data/refs/mgb2_fatbands/mgb2_kpath_FATBANDS.nc
abipy/data/refs/mgb2_fatbands/run.abi
abipy/data/refs/mgb2_fatbands/run.abo
abipy/data/refs/si_bse/gendata.py
abipy/data/refs/si_bse/run.abi
abipy/data/refs/si_bse/run.abo
abipy/data/refs/si_bse/tbs_4o_DS2_MDF.nc
abipy/data/refs/si_ebands/gendata.py
abipy/data/refs/si_ebands/run.abi
abipy/data/refs/si_ebands/run.abo
abipy/data/refs/si_ebands/si_DEN.nc
abipy/data/refs/si_ebands/si_nscf_GSR.nc
abipy/data/refs/si_ebands/si_nscf_WFK.nc
abipy/data/refs/si_ebands/si_scf_GSR.nc
abipy/data/refs/si_ebands/si_scf_WFK.nc
abipy/data/refs/si_g0w0/gendata.py
abipy/data/refs/si_g0w0/run.abi
abipy/data/refs/si_g0w0/run.abo
abipy/data/refs/si_g0w0/si_g0w0ppm_nband10_SIGRES.nc
abipy/data/refs/si_g0w0/si_g0w0ppm_nband20_SIGRES.nc
abipy/data/refs/si_g0w0/si_g0w0ppm_nband30_SIGRES.nc
abipy/data/runs/README.md
abipy/data/runs/__init__.py
abipy/data/runs/_make_readme.py
abipy/data/runs/_runemall.py
abipy/data/runs/run_eph_al.py
abipy/data/runs/run_fe_ebands.py
abipy/data/runs/run_from_files.py
abipy/data/runs/run_gruneisen_phonopy_si.py
abipy/data/runs/run_gwconv_ecuteps.py
abipy/data/runs/run_ht_si_bsemdf.py
abipy/data/runs/run_ht_si_ebands.py
abipy/data/runs/run_ht_si_g0w0ppm.py
abipy/data/runs/run_ldaus.py
abipy/data/runs/run_mgb2_edoses.py
abipy/data/runs/run_optic.py
abipy/data/runs/run_phfrozen_bands.py
abipy/data/runs/run_phonons.py
abipy/data/runs/run_phonopy_si.py
abipy/data/runs/run_qha.py
abipy/data/runs/run_qptdmscr.py
abipy/data/runs/run_raman.py
abipy/data/runs/run_raman_optic.py
abipy/data/runs/run_relax.py
abipy/data/runs/run_relax_and_ebands.py
abipy/data/runs/run_si_ebands.py
abipy/data/runs/run_si_g0w0.py
abipy/data/runs/run_sic_relax.py
abipy/data/runs/run_wyckoff.py
abipy/data/runs/test_scripts.py
abipy/data/variables/abinit_vars.json
abipy/data/variables/abinit_vars.yml
abipy/data/variables/anaddb_vars.json
abipy/data/variables/characteristics.yml
abipy/data/variables/sections.yml
abipy/data/variables/update.py
abipy/dev_scripts/abiGWoutput.py
abipy/dev_scripts/abiGWprint.py
abipy/dev_scripts/abiGWsetup.py
abipy/dev_scripts/abiGWstore.py
abipy/dev_scripts/abibatch.py
abipy/dev_scripts/abiinsp.py
abipy/dev_scripts/abiphonons.py
abipy/dev_scripts/abipsps.py
abipy/dev_scripts/abiq.py
abipy/dev_scripts/fabfile.py
abipy/dev_scripts/fftprof.py
abipy/dev_scripts/ftypevars.py
abipy/dev_scripts/mrgddb.py
abipy/dfpt/__init__.py
abipy/dfpt/anaddbnc.py
abipy/dfpt/ddb.py
abipy/dfpt/eph.py
abipy/dfpt/phonons.py
abipy/dynamics/__init__.py
abipy/dynamics/hist.py
abipy/electrons/__init__.py
abipy/electrons/bse.py
abipy/electrons/charges.py
abipy/electrons/denpot.py
abipy/electrons/ebands.py
abipy/electrons/fatbands.py
abipy/electrons/gsr.py
abipy/electrons/gw.py
abipy/electrons/psps.py
abipy/electrons/scissors.py
abipy/electrons/scr.py
abipy/examples/__init__.py
abipy/examples/_runplots.py
abipy/examples/plot/__init__.py
abipy/examples/plot/plot_bz.py
abipy/examples/plot/plot_ebands.py
abipy/examples/plot/plot_ebands_boxplot.py
abipy/examples/plot/plot_ebands_edos.py
abipy/examples/plot/plot_ebands_grid.py
abipy/examples/plot/plot_ederivatives.py
abipy/examples/plot/plot_edos.py
abipy/examples/plot/plot_edos_vs_broad.py
abipy/examples/plot/plot_efatbands.py
abipy/examples/plot/plot_ejdos.py
abipy/examples/plot/plot_funcs.py
abipy/examples/plot/plot_gscycle.py
abipy/examples/plot/plot_hist.py
abipy/examples/plot/plot_mdf.py
abipy/examples/plot/plot_phbands_and_dos.py
abipy/examples/plot/plot_phbands_grid.py
abipy/examples/plot/plot_phmarkers.py
abipy/examples/plot/plot_phonon_fatbands.py
abipy/examples/plot/plot_phonon_pjdos.py
abipy/examples/plot/plot_phonons.py
abipy/examples/plot/plot_phthermo.py
abipy/examples/plot/plot_qpbands_with_interpolation.py
abipy/examples/plot/plot_qpbands_with_scissor.py
abipy/examples/plot/plot_qpconverge.py
abipy/examples/plot/plot_qpmarkers.py
abipy/examples/plot/plot_qps.py
abipy/examples/plot/plot_qpscfgw.py
abipy/examples/plot/plot_sigmaw.py
abipy/examples/plot/plot_spectral_functions.py
abipy/extensions/__init__.py
abipy/extensions/test_kpoints.py
abipy/flowtk/__init__.py
abipy/flowtk/abiinspect.py
abipy/flowtk/abiobjects.py
abipy/flowtk/abiphonopy.py
abipy/flowtk/flows.py
abipy/flowtk/mocks.py
abipy/flowtk/netcdf.py
abipy/flowtk/qha.py
abipy/flowtk/tasks.py
abipy/gui/__init__.py
abipy/gui/baseviewer.py
abipy/gui/browser.py
abipy/gui/comparison.py
abipy/gui/converter.py
abipy/gui/editor.py
abipy/gui/electronswx.py
abipy/gui/eos.py
abipy/gui/events.py
abipy/gui/fftprof.py
abipy/gui/flowviewer.py
abipy/gui/gsrviewer.py
abipy/gui/kpoints.py
abipy/gui/mandelbrot.py
abipy/gui/mdfviewer.py
abipy/gui/mixins.py
abipy/gui/oncvgui.py
abipy/gui/oncvtooltips.py
abipy/gui/phbstviewer.py
abipy/gui/popupmenus.py
abipy/gui/pseudos.py
abipy/gui/scissors.py
abipy/gui/sigresviewer.py
abipy/gui/structure.py
abipy/gui/timer.py
abipy/gui/wfkviewer.py
abipy/gui/wxapps.py
abipy/gui/wxncview.py
abipy/gui/awx/__init__.py
abipy/gui/awx/apps.py
abipy/gui/awx/buttons.py
abipy/gui/awx/console.py
abipy/gui/awx/core.py
abipy/gui/awx/dialogs.py
abipy/gui/awx/eggs.py
abipy/gui/awx/elements.py
abipy/gui/awx/elements_gui.py
abipy/gui/awx/frames.py
abipy/gui/awx/func1dframe.py
abipy/gui/awx/grids.py
abipy/gui/awx/panels.py
abipy/gui/awx/threads.py
abipy/gui/awx/utils.py
abipy/gui/awx/images/abipy.png
abipy/gui/awx/images/abipy0.png
abipy/gui/awx/images/abipy1.png
abipy/gui/awx/images/abipy2.png
abipy/gui/awx/images/abipy3.png
abipy/gui/awx/images/abipy4.png
abipy/gui/awx/images/abipy5.png
abipy/gui/awx/images/abipy6.png
abipy/gui/awx/images/abipy7.png
abipy/gui/awx/images/abipy8.png
abipy/gui/awx/images/browse.png
abipy/gui/awx/images/bs.png
abipy/gui/awx/images/bz.png
abipy/gui/awx/images/chk.png
abipy/gui/awx/images/crystal.png
abipy/gui/awx/images/dos.png
abipy/gui/awx/images/empty.png
abipy/gui/awx/images/env.png
abipy/gui/awx/images/in.png
abipy/gui/awx/images/jdos.png
abipy/gui/awx/images/log.png
abipy/gui/awx/images/log_evt.png
abipy/gui/awx/images/out.png
abipy/gui/awx/images/out_evt.png
abipy/gui/awx/images/qpmarkers.png
abipy/gui/awx/images/qpresults.png
abipy/gui/awx/images/qpscissor.png
abipy/gui/awx/images/refresh.png
abipy/gui/awx/images/run.png
abipy/gui/awx/images/script.png
abipy/gui/awx/images/struct.png
abipy/gui/awx/images/term.png
abipy/gui/awx/images/timer.png
abipy/gui/awx/images/vers.png
abipy/gui/awx/images/wave.png
abipy/gui/awx/images/wfk.png
abipy/gui/demo/demo_comparison.py
abipy/gui/demo/demo_converter.py
abipy/gui/demo/demo_dirbrowser.py
abipy/gui/demo/demo_eos.py
abipy/gui/demo/demo_events.py
abipy/gui/demo/demo_fftprof.py
abipy/gui/demo/demo_func1d.py
abipy/gui/demo/demo_gsrviewer.py
abipy/gui/demo/demo_kpoints.py
abipy/gui/demo/demo_listbrowser.py
abipy/gui/demo/demo_mdfviewer.py
abipy/gui/demo/demo_oncvguy.py
abipy/gui/demo/demo_periodic_table.py
abipy/gui/demo/demo_phbstviewer.py
abipy/gui/demo/demo_pseudos.py
abipy/gui/demo/demo_scissors.py
abipy/gui/demo/demo_showfiles.py
abipy/gui/demo/demo_sigresviewer.py
abipy/gui/demo/demo_structure_converter.py
abipy/gui/demo/demo_wfkviewer.py
abipy/gui/demo/demo_wxncview.py
abipy/gui/demo/rundemos.py
abipy/gw/GWtasks.py
abipy/gw/GWworks.py
abipy/gw/__init__.py
abipy/gw/codeinterfaces.py
abipy/gw/datastructures.py
abipy/htc/__init__.py
abipy/htc/abinitfiles.py
abipy/htc/abinitinput.py
abipy/htc/fftbench.py
abipy/htc/filesfile.py
abipy/htc/input.py
abipy/htc/inputfile.py
abipy/htc/jobfile.py
abipy/htc/launcher.py
abipy/htc/utils.py
abipy/htc/variable.py
abipy/integration_tests/conftest.py
abipy/integration_tests/itest_ebands.py
abipy/integration_tests/itest_gw.py
abipy/integration_tests/itest_handlers.py
abipy/integration_tests/itest_optic.py
abipy/integration_tests/itest_phonons.py
abipy/integration_tests/itest_relaxations.py
abipy/integration_tests/itest_scheduler.py
abipy/iotools/__init__.py
abipy/iotools/cube.py
abipy/iotools/visualizer.py
abipy/iotools/xsf.py
abipy/lessons/__init__.py
abipy/lessons/core.py
abipy/lessons/gen_manfiles.py
abipy/lessons/lesson_base1.py
abipy/lessons/lesson_base2.py
abipy/lessons/lesson_base3.py
abipy/lessons/lesson_base4.py
abipy/lessons/lesson_bse.py
abipy/lessons/lesson_dfpt.py
abipy/lessons/lesson_dos_bands.man
abipy/lessons/lesson_dos_bands.py
abipy/lessons/lesson_ecut_convergence.man
abipy/lessons/lesson_ecut_convergence.py
abipy/lessons/lesson_g0w0.man
abipy/lessons/lesson_g0w0.py
abipy/lessons/lesson_kpoint_convergence.man
abipy/lessons/lesson_kpoint_convergence.py
abipy/lessons/lesson_paw1.py
abipy/lessons/lesson_relaxation.man
abipy/lessons/lesson_relaxation.py
abipy/lessons/lesson_spin.py
abipy/lessons/test_lessons.py
abipy/scripts/abicheck.py
abipy/scripts/abicomp.py
abipy/scripts/abidoc.py
abipy/scripts/abiopen.py
abipy/scripts/abirun.py
abipy/scripts/abistruct.py
abipy/tools/__init__.py
abipy/tools/derivatives.py
abipy/tools/devtools.py
abipy/tools/iotools.py
abipy/tools/notebooks.py
abipy/tools/numtools.py
abipy/tools/plotting.py
abipy/tools/plotting_utils.py
abipy/tools/text.py
abipy/waves/__init__.py
abipy/waves/pwwave.py
abipy/waves/wfkfile.py