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abinit

A package for electronic structure calculations

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 nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis.

ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.

This package contains all programs needed to perform calculations. For documentation and tests, install the abinit-doc package.

Homepage:
Package version:5.3.4.dfsg-3
Architecture:kfreebsd-amd64
Distribution:Debian
Filename:abinit_5.3.4.dfsg-3_kfreebsd-amd64.deb

/usr/share/doc/abinit/README.ChangeLog

Please note that ABINIT has more than one ChangeLog file:

	* ./ChangeLog: Documents changes to files in the top-level directory
	and to files in subdirectories that don't have their own ChangeLogs.

	* doc/ChangeLog: Documents only changes to files in the doc directory.

	* lib/ChangeLog: Documents only changes to files in the lib directory.

	* src/ChangeLog: Documents only changes to files in t
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/usr/share/doc/abinit/README

README for ABINIT
=================



<pre>
	Copyright (C) 2006 ABINIT Group

	This file is part of ABINIT.

	This program is free software; you can redistribute it and/or modify
	it under the terms of the GNU General Public License as published by
	the Free Software Foundation; either version 2, or (at your option)
	any later version.

	This program is distributed in the hope that it will be use
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/usr/share/doc/abinit/README.Debian.gz

abinit for Debian
-----------------

How to run the lesson 1 from the tutorial: install the abinit-doc package, and
create the file "t1x.files":

$ cat t1x.files 
/usr/share/doc/abinit-doc/tests/tutorial/Input/t11.in
t11.out
t1xi
t1xo
t1x
/usr/share/doc/abinit-doc/tests/Psps_for_tests/01h.pspgth

Then run abinit using:

$ abinis < t1x.files > log

Now test, that you got a correct result by:

$ zca
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/usr/share/doc/abinit/NEWS.gz

News           
====

The news can be found in the ~abinit/doc/release_notes/ directory,
more specif
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/usr/share/man/man1/abinit.1.gz

ABINIS(1)                                                  ABINIS(1)



NAME
       abinis - Sequent
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/usr/share/doc/abinit/changelog.Debian.gz

abinit (5.3.4.dfsg-3) unstable; urgency=low

  * Add XS-DM-Upload-Allowed: yes
  * shifted Build-Dep
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/usr/share/doc/abinit/changelog.gz

aa

/usr/share/doc/abinit/TODO

TODO list
=========

For ABINIT 5.0
--------------

### Archive ###

 * A1. Split arch_hooks into ba
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