abinit/doc/macroave

README for Macroave
===================

This directory contains the documentation relative to the
macroave (for macro-average) code developed by P. Ordejon,
J. Junquera, with contributions by J. Soler and A. Garcia.
They kindly provided this code, for inclusion in the ABINIT
distribution, under the GPL license, starting with ABINITv4.2 .

With respect to the package received in July 2003, the following
modifications have been performed (I have tried to keep as close
as possible to the original delivered package):

 - the main routine macroave.f , has been translated
   to Fortran 90 free format, and re-formatted for ROBODOC
   treatment (this is the only file that was modified);
 - the ABINIT compilation procedure has been followed, instead
   of the initial one.

The macroave.tex , on the other hand, has not been modified,
and, in particular, the section 2 (Compilation), is not
coherent with the implementation in ABINIT.
This means that the ABINIT user should simply skip this section,
and, as usual, to compile, type the command :

 * **make macroave**

in the *~ABINIT/* directory. This will work, provided the
user has set up the *makefile_macros* file appropriate
for their machine.


* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *


Copyright (C) 2003-2025 ABINIT group (XG)
This file is distributed under the terms of the
GNU General Public License, see ~ABINIT/COPYING
or http://www.gnu.org/copyleft/gpl.txt .
For the initials of contributors, see ~ABINIT/Infos/contributors .