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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.
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 more»
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 more»
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 more»
News ==== The news can be found in the ~abinit/doc/release_notes/ directory, more specif more»
ABINIS(1) ABINIS(1) NAME abinis - Sequent more»
abinit (5.3.4.dfsg-3) unstable; urgency=low * Add XS-DM-Upload-Allowed: yes * shifted Build-Dep more»
TODO list ========= For ABINIT 5.0 -------------- ### Archive ### * A1. Split arch_hooks into ba more»