pkg-descr

ABINIT is a package whose main program allows one to find
the total energy, charge density and electronic structure of
systems made of electrons and nulcei (molecules and periodic
solids) within Density Functional Theory (DFT), using pseudo-
potentials and a planewave basis.

WWW: http://www.abinit.org/

pkg-plist

abinit/5.2/bin/%%GNU_HOST%%-abinis
abinit/5.2/bin/%%GNU_HOST%%-abinitgw
abinit/5.2/bin/%%GNU_HOST%%-mrgddb
abinit/5.2/bin/%%GNU_HOST%%-mrggkk
abinit/5.2/bin/%%GNU_HOST%%-mrgscr
abinit/5.2/bin/%%GNU_HOST%%-anaddb
abinit/5.2/bin/%%GNU_HOST%%-aim
abinit/5.2/bin/%%GNU_HOST%%-cut3d
abinit/5.2/bin/%%GNU_HOST%%-macroave
abinit/5.2/bin/%%GNU_HOST%%-newsp
abinit/5.2/bin/%%GNU_HOST%%-conducti
abinit/5.2/bin/%%GNU_HOST%%-optic
abinit/5.2/bin/%%GNU_HOST%%-lwf
abinit/5.2/bin/%%GNU_HOST%%-band2eps
abinit/5.2/bin/%%GNU_HOST%%-abinetcdf
abinit/5.2/doc/macroave/macroave.tex
abinit/5.2/doc/macroave/README
abinit/5.2/doc/macroave/macroave.pdf
abinit/5.2/doc/release_notes/release_notes_v4.7.html
abinit/5.2/doc/release_notes/release_notes_v3.0.htm
abinit/5.2/doc/release_notes/release_notes_v4.3.html
abinit/5.2/doc/release_notes/release_notes_v2.3.htm
abinit/5.2/doc/release_notes/release_notes_v4.2.htm
abinit/5.2/doc/release_notes/release_notes_v4.6.html
abinit/5.2/doc/release_notes/release_notes_v3.1.htm
abinit/5.2/doc/release_notes/release_notes_v5.0.html
abinit/5.2/doc/release_notes/release_notes_v4.0.htm
abinit/5.2/doc/release_notes/release_notes_v4.4.html
abinit/5.2/doc/release_notes/release_notes_v3.3.htm
abinit/5.2/doc/release_notes/release_notes_v4.5.html
abinit/5.2/doc/release_notes/release_notes_v3.2.htm
abinit/5.2/doc/release_notes/release_notes_v3.4.htm
abinit/5.2/doc/release_notes/release_notes_v4.1.htm
abinit/5.2/doc/release_notes/release_notes_v5.1.html
abinit/5.2/doc/release_notes/release_notes_v5.2.html
abinit/5.2/doc/features/features_v4.6.html
abinit/5.2/doc/features/features_v2.3.htm
abinit/5.2/doc/features/features_v4.5.html
abinit/5.2/doc/features/features_v3.1.htm
abinit/5.2/doc/features/features_v4.4.html
abinit/5.2/doc/features/features_v4.1.htm
abinit/5.2/doc/features/features_v3.2.htm
abinit/5.2/doc/features/features_v3.0.htm
abinit/5.2/doc/features/features_v4.0.htm
abinit/5.2/doc/features/features_v3.4.htm
abinit/5.2/doc/features/features_v4.2.htm
abinit/5.2/doc/features/features_v3.3.htm
abinit/5.2/doc/features/features_v5.0.html
abinit/5.2/doc/features/features_v4.7.html
abinit/5.2/doc/features/features_v4.3.html
abinit/5.2/doc/features/features.html
abinit/5.2/doc/features/features_v5.1.html
abinit/5.2/doc/features/features_v5.2.html
abinit/5.2/doc/install_notes/install_v2.0.html
abinit/5.2/doc/install_notes/install_v4.2.htm
abinit/5.2/doc/install_notes/install_v1.8.html
abinit/5.2/doc/install_notes/install_v3.1.htm
abinit/5.2/doc/install_notes/install_v4.0.htm
abinit/5.2/doc/install_notes/install_v4.6.html
abinit/5.2/doc/install_notes/install_v3.2.htm
abinit/5.2/doc/install_notes/install_v2.2.html
abinit/5.2/doc/install_notes/install_v4.1.htm
abinit/5.2/doc/install_notes/install_v4.3.html
abinit/5.2/doc/install_notes/install.html
abinit/5.2/doc/install_notes/install_v2.1.html
abinit/5.2/doc/install_notes/install_v3.3.htm
abinit/5.2/doc/install_notes/install_v1.7.html
abinit/5.2/doc/install_notes/install_v1.9.html
abinit/5.2/doc/install_notes/install_v3.0.htm
abinit/5.2/doc/install_notes/install_v4.5.html
abinit/5.2/doc/install_notes/install_v3.4.htm
abinit/5.2/doc/install_notes/install_v4.7.html
abinit/5.2/doc/install_notes/install_v2.3.htm
abinit/5.2/doc/install_notes/install_v4.4.html
abinit/5.2/doc/install_notes/install_v5.1.html
abinit/5.2/doc/install_notes/install_v5.0.html
abinit/5.2/doc/install_notes/install_v5.2.html
abinit/5.2/doc/developers/strain_nonlocal/make_met2str.m
abinit/5.2/doc/developers/strain_nonlocal/fort_fix3.scr
abinit/5.2/doc/developers/strain_nonlocal/d2term1.out
abinit/5.2/doc/developers/strain_nonlocal/fort_fixis.scr
abinit/5.2/doc/developers/strain_nonlocal/make_metstr3.m
abinit/5.2/doc/developers/strain_nonlocal/fort_2fix.scr
abinit/5.2/doc/developers/strain_nonlocal/make_metintstrv.m
abinit/5.2/doc/developers/strain_nonlocal/strainpert.pdf
abinit/5.2/doc/developers/strain_nonlocal/d2term1.fort
abinit/5.2/doc/developers/strain_nonlocal/format_code.c
abinit/5.2/doc/developers/strain_nonlocal/README
abinit/5.2/doc/developers/strain_nonlocal/make_metintstr.m
abinit/5.2/doc/developers/HM5.document
abinit/5.2/doc/developers/Patches-HOWTO
abinit/5.2/doc/developers/preprocessing-options.txt
abinit/5.2/doc/developers/rules_OMP.txt
abinit/5.2/doc/developers/Markdown-HOWTO
abinit/5.2/doc/developers/programmer_guide.txt
abinit/5.2/doc/developers/contributing.html
abinit/5.2/doc/developers/NetCDF-API
abinit/5.2/doc/developers/MACHINES
abinit/5.2/doc/developers/devs.txt
abinit/5.2/doc/developers/README
abinit/5.2/doc/developers/formabinit.css
abinit/5.2/doc/developers/rules_coding.txt
abinit/5.2/doc/developers/HM2.document
abinit/5.2/doc/developers/rules_paral.txt
abinit/5.2/doc/developers/use_cpp.txt
abinit/5.2/doc/developers/checklist.txt
abinit/5.2/doc/developers/format_KSS.txt
abinit/5.2/doc/developers/FFT_in_parallel.txt
abinit/5.2/doc/developers/dirs_and_files
abinit/5.2/doc/developers/planning.txt
abinit/5.2/doc/developers/contributors.txt
abinit/5.2/doc/theory/vanderbilt-anaddb-notes.pdf
abinit/5.2/doc/theory/1WF.pdf
abinit/5.2/doc/theory/elasticity-oganov.pdf
abinit/5.2/doc/theory/noncol.tex
abinit/5.2/doc/theory/geometry.pdf
abinit/5.2/doc/theory/Figure.png
abinit/5.2/doc/theory/set_WFs.pdf
abinit/5.2/doc/theory/geometry.tex
abinit/5.2/doc/theory/1WF.tex
abinit/5.2/doc/theory/README
abinit/5.2/doc/theory/gwa.pdf
abinit/5.2/doc/theory/set_WFs.tex
abinit/5.2/doc/theory/Figure.eps
abinit/5.2/doc/theory/noncol.pdf
abinit/5.2/doc/presentation/presentation.pdf
abinit/5.2/doc/presentation/reliable.tex
abinit/5.2/doc/presentation/presentation.tex
abinit/5.2/doc/presentation/motivation.tex
abinit/5.2/doc/presentation/open.tex
abinit/5.2/doc/presentation/easy.tex
abinit/5.2/doc/presentation/coding.tex
abinit/5.2/doc/presentation/groups.tex
abinit/5.2/doc/presentation/features2.tex
abinit/5.2/doc/presentation/portable.tex
abinit/5.2/doc/presentation/overview.tex
abinit/5.2/doc/presentation/features1.tex
abinit/5.2/doc/users/conducti_manual.tex
abinit/5.2/doc/users/FAQ.html
abinit/5.2/doc/users/context.txt
abinit/5.2/doc/users/bibliography.html
abinit/5.2/doc/users/ddbs_upgrade.txt
abinit/5.2/doc/users/new_user_guide.html
abinit/5.2/doc/users/newsp_help.txt
abinit/5.2/doc/users/tuning.txt
abinit/5.2/doc/users/respfn_help.keep
abinit/5.2/doc/users/piezoelectric.txt
abinit/5.2/doc/users/spgrcopyright.html
abinit/5.2/doc/users/band2eps_help
abinit/5.2/doc/users/spgrdescription.html
abinit/5.2/doc/users/aimhelp.ps
abinit/5.2/doc/users/mrgddb_help.html
abinit/5.2/doc/users/questionscheme.pdf
abinit/5.2/doc/users/aimhelp.tex
abinit/5.2/doc/users/cut3d_help.html
abinit/5.2/doc/users/gwmanual.txt
abinit/5.2/doc/users/aim_help.html
abinit/5.2/doc/users/optic_help.html
abinit/5.2/doc/users/spgrhead.html
abinit/5.2/doc/users/elphon_manual.ps
abinit/5.2/doc/users/positronmanual.txt
abinit/5.2/doc/users/formabinit.css
abinit/5.2/doc/users/netiquette.html
abinit/5.2/doc/users/other_codes.txt
abinit/5.2/doc/users/spacegrouphelpfile.html
abinit/5.2/doc/users/AbinitBandStructureMaker_manual.pdf
abinit/5.2/doc/users/spgrdefinition.html
abinit/5.2/doc/users/respfn_help.html
abinit/5.2/doc/users/paral_use.txt
abinit/5.2/doc/users/problem_report.txt
abinit/5.2/doc/users/acknowledgments.html
abinit/5.2/doc/users/abinis_help.html
abinit/5.2/doc/users/anaddb_help.html
abinit/5.2/doc/config/build-examples/README
abinit/5.2/doc/config/build-examples/i686-linux-gnu-gnu-intel7.1_antarion.ac
abinit/5.2/doc/config/build-examples/i686-intel8.1_antarion.ac
abinit/5.2/doc/config/build-examples/i686-intel9.0_antarion.ac
abinit/5.2/doc/config/build-examples/powerpc-ibm_dirac.ac
abinit/5.2/doc/config/build-examples/i686-intel9.0_dummy.ac
abinit/5.2/doc/config/build-examples/fujitsu-fujitsu_eliza.ac
abinit/5.2/doc/config/build-examples/powerpc64-ibm_fock.ac
abinit/5.2/doc/config/build-examples/powerpc-ibm_max.ac
abinit/5.2/doc/config/build-examples/i686-intel9.0_sirius.ac
abinit/5.2/doc/config/build-examples/i686-pgi4.0_dummy.ac
abinit/5.2/doc/config/build-examples/i686-pathscale_sleepy.ac
abinit/5.2/doc/config/build-examples/mips-mipspro_spinoza.ac
abinit/5.2/doc/config/build-examples/alphaev56-compaq_tux.ac
abinit/5.2/doc/config/build-examples/i686-g95_sleepy.ac
abinit/5.2/doc/config/build-examples/i686-pgi4.0_sleepy.ac
abinit/5.2/doc/config/build-examples/i686-intel8.1_sleepy.ac
abinit/5.2/doc/config/build-examples/powerpc-ibm_generic.ac
abinit/5.2/doc/config/build-examples/alphaev67-compaq_deccint.ac
abinit/5.2/doc/config/build-examples/opteron-intel9.1_lemaitre.ac
abinit/5.2/doc/config/build-examples/ia64-intel8.1_chpit.ac
abinit/5.2/doc/config/build-howto.txt
abinit/5.2/doc/config/using-configure.txt
abinit/5.2/doc/config/build-config.ac
abinit/5.2/doc/misc/XCrysDen
abinit/5.2/doc/misc/PeriodicTable
abinit/5.2/doc/misc/DetectMemLeaks
abinit/5.2/doc/misc/Phonon_dispersion
abinit/5.2/doc/misc/Guidelines_for_presentation
abinit/5.2/doc/misc/LectureNotes
abinit/5.2/doc/misc/Landolt-Boernstein
abinit/5.2/doc/misc/Links_for_Fortran_codes
abinit/5.2/doc/misc/BibSearch
abinit/5.2/doc/misc/DFT
abinit/5.2/doc/misc/Publishing_in_English
abinit/5.2/doc/misc/Equation_of_state
abinit/5.2/doc/misc/VASP_Data_View
abinit/5.2/doc/misc/ElectronicStructure_DDB
abinit/5.2/doc/misc/Crystals
abinit/5.2/doc/misc/AtomicReferenceData
abinit/5.2/doc/misc/PLOTMTV_Phonons
abinit/5.2/doc/misc/LiterateProgramming
abinit/5.2/doc/misc/Graphics
abinit/5.2/doc/misc/GNUArch
abinit/5.2/doc/misc/README
abinit/5.2/doc/misc/ATLAS
abinit/5.2/doc/misc/FLOP.benchmark
abinit/5.2/doc/misc/TtH
abinit/5.2/doc/misc/Scilab_vs_Matlab
abinit/5.2/doc/known_problems/known_problems.4.6.x
abinit/5.2/doc/maintainers/TODO-doc
abinit/5.2/doc/maintainers/check_list.txt
abinit/5.2/doc/manpages/abinit.1
abinit/5.2/doc/tutorial/lesson_1/Plot1.jpg
abinit/5.2/doc/tutorial/lesson_1/dim.m
abinit/5.2/doc/tutorial/lesson_nlo/image002.pct
abinit/5.2/doc/tutorial/lesson_nlo/filelist.xml
abinit/5.2/doc/tutorial/lesson_nlo/image001.gif
abinit/5.2/doc/tutorial/lesson_nlo/image009.gif
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abinit/5.2/doc/tutorial/lesson_nlo/image008.pct
abinit/5.2/doc/tutorial/lesson_nlo/image007.gif
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abinit/5.2/doc/tutorial/lesson_nlo/image005.pct
abinit/5.2/doc/tutorial/lesson_parallelism/lesson_parallelism_overhead.png
abinit/5.2/doc/tutorial/lesson_parallelism/lesson_parallelism_speedup.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/opendx_cp1.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/opendx_sequencer_control.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/si_den_111.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/opendx_vpe1.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/opendx_vpe2.png
abinit/5.2/doc/tutorial/lesson_analysis_tools/opendx_view_control.png
abinit/5.2/doc/tutorial/lesson_paw2/ecut_lloc.png
abinit/5.2/doc/tutorial/lesson_paw2/ecut_rc.png
abinit/5.2/doc/tutorial/lesson_paw2/ti_ae_s2d1.adat
abinit/5.2/doc/tutorial/lesson_paw2/merge_script
abinit/5.2/doc/tutorial/lesson_paw2/RSO.png
abinit/5.2/doc/tutorial/lesson_paw2/ti_ps.adat
abinit/5.2/doc/tutorial/lesson_paw2/ecut_rso.png
abinit/5.2/doc/tutorial/lesson_paw2/ecut_rc.dat
abinit/5.2/doc/tutorial/lesson_paw2/ecut_rcloc.png
abinit/5.2/doc/tutorial/lesson_paw2/acell_rc.dat
abinit/5.2/doc/tutorial/lesson_paw2/ti_ps.abinit.paw
abinit/5.2/doc/tutorial/lesson_paw2/uspp-uspp2abinit.tgz
abinit/5.2/doc/tutorial/lesson_paw2/ecut_rpcor.png
abinit/5.2/doc/tutorial/lesson_rf2/trf2_6.out.eps
abinit/5.2/doc/tutorial/lesson_spin/bccfe_mag_dos2.jpg
abinit/5.2/doc/tutorial/lesson_spin/bccfe_nonmag_dos2.jpg
abinit/5.2/doc/tutorial/lesson_spin/energy_diff_fccfe.jpg
abinit/5.2/doc/tutorial/lesson_spin/gz2.py
abinit/5.2/doc/tutorial/lesson_tddft.html
abinit/5.2/doc/tutorial/lesson_rf2.html
abinit/5.2/doc/tutorial/welcome.html
abinit/5.2/doc/tutorial/lesson_rf1.html
abinit/5.2/doc/tutorial/lesson_optic.html
abinit/5.2/doc/tutorial/lesson_gw.html
abinit/5.2/doc/tutorial/lesson_nlo.html
abinit/5.2/doc/tutorial/lesson_4.html
abinit/5.2/doc/tutorial/lesson_visual.txt
abinit/5.2/doc/tutorial/lesson_elphon.html
abinit/5.2/doc/tutorial/lesson_paw1.html
abinit/5.2/doc/tutorial/lesson_1.html
abinit/5.2/doc/tutorial/lesson_3.html
abinit/5.2/doc/tutorial/lesson_analysis_tools.html
abinit/5.2/doc/tutorial/lesson_2.html
abinit/5.2/doc/tutorial/lesson_parallelism.html
abinit/5.2/doc/tutorial/lesson_paw2.html
abinit/5.2/doc/tutorial/lesson_elastic.html
abinit/5.2/doc/tutorial/lesson_source_code.html
abinit/5.2/doc/tutorial/lesson_spin.html
abinit/5.2/doc/help_make/help_make_doc
abinit/5.2/doc/help_make/help_make_tests
abinit/5.2/doc/help_make/help_make_src
abinit/5.2/doc/help_make/help_make_top
abinit/5.2/doc/help_make/help_make_tests_dev
abinit/5.2/doc/help_make/help_make_top_dev
abinit/5.2/doc/psp_infos/psp8_info.txt
abinit/5.2/doc/psp_infos/psp1_info.txt
abinit/5.2/doc/psp_infos/psp3_info.txt
abinit/5.2/doc/psp_infos/psp45_info.txt
abinit/5.2/doc/psp_infos/psp5spinorbit_info.txt
abinit/5.2/doc/psp_infos/psp6_info.txt
abinit/5.2/doc/psp_infos/psp1_data.txt
abinit/5.2/doc/input_variables/varfil.html
abinit/5.2/doc/input_variables/varrlx.html
abinit/5.2/doc/input_variables/varrf.html
abinit/5.2/doc/input_variables/vargw.html
abinit/5.2/doc/input_variables/keyhr.html
abinit/5.2/doc/input_variables/vardev.html
abinit/5.2/doc/input_variables/vargs.html
abinit/5.2/doc/input_variables/vargeo.html
abinit/5.2/doc/input_variables/varpar.html
abinit/5.2/doc/input_variables/varwan.html
abinit/5.2/doc/input_variables/varbas.html
abinit/5.2/doc/input_variables/formabinit.css
abinit/5.2/doc/input_variables/varpaw.html
abinit/5.2/doc/input_variables/varint.html
abinit/5.2/doc/gallery/t5o_DEN.ps.gz
abinit/5.2/doc/gallery/t5o_DEN.png
abinit/5.2/doc/gallery/Plot1.jpg
abinit/5.2/doc/gallery/t5o_DEN_extended.png
abinit/5.2/doc/gallery/mode.png
abinit/5.2/doc/gallery/pcpm.gif
abinit/5.2/doc/README
@dirrm abinit/5.2/doc/users
@dirrm abinit/5.2/doc/tutorial/lesson_spin
@dirrm abinit/5.2/doc/tutorial/lesson_rf2
@dirrm abinit/5.2/doc/tutorial/lesson_paw2
@dirrm abinit/5.2/doc/tutorial/lesson_parallelism
@dirrm abinit/5.2/doc/tutorial/lesson_nlo
@dirrm abinit/5.2/doc/tutorial/lesson_analysis_tools
@dirrm abinit/5.2/doc/tutorial/lesson_1
@dirrm abinit/5.2/doc/tutorial
@dirrm abinit/5.2/doc/theory
@dirrm abinit/5.2/doc/release_notes
@dirrm abinit/5.2/doc/psp_infos
@dirrm abinit/5.2/doc/presentation
@dirrm abinit/5.2/doc/misc
@dirrm abinit/5.2/doc/manpages
@dirrm abinit/5.2/doc/maintainers
@dirrm abinit/5.2/doc/macroave
@dirrm abinit/5.2/doc/known_problems
@dirrm abinit/5.2/doc/install_notes
@dirrm abinit/5.2/doc/input_variables
@dirrm abinit/5.2/doc/help_make
@dirrm abinit/5.2/doc/gallery
@dirrm abinit/5.2/doc/features
@dirrm abinit/5.2/doc/developers/strain_nonlocal
@dirrm abinit/5.2/doc/developers
@dirrm abinit/5.2/doc/config/build-examples
@dirrm abinit/5.2/doc/config
@dirrm abinit/5.2/doc
@dirrm abinit/5.2/bin
@dirrm abinit/5.2
@dirrm abinit